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4-(pyrrolidin-3-yl)benzonitrile

4-(pyrrolidin-3-yl)benzonitrile

CAS: 1203798-71-3

Formula: C11H12N2

SMILES: N#CC1=CC=C(C=C1)C1CCNC1

IUPAC: 4-(pyrrolidin-3-yl)benzonitrile

InChI: InChI=1/C11H12N2/c12-7-9-1-3-10(4-2-9)11-5-6-13-8-11/h1-4,11,13H,5-6,8H2

Composition: C (76.71%), H (7.02%), N (16.27%)

Molar Mass: 172.231

Atom Count: 25

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 172.100048394
Formal Charge 0
FSP3 0.36
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey BHNNXQXXZAYRIC-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 52.52
Topological Polar Surface Area 35.82
Polarizability 20.26
Ring Count 2
Rotatable Bond Count 1

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