4-[(5Z)-5-(aminomethylidene)-1-ethenylpyrrolidin-2-yl]-3-ethylbenzonitrile

C16H19N3 — CID 70318509

IUPAC4-[(5Z)-5-(aminomethylidene)-1-ethenylpyrrolidin-2-yl]-3-ethylbenzonitrile
SMILESC=CN1/C(=C\N)CCC1c1ccc(C#N)cc1CC
InChIInChI=1S/C16H19N3/c1-3-13-9-12(10-17)5-7-15(13)16-8-6-14(11-18)19(16)4-2/h4-5,7,9,11,16H,2-3,6,8,18H2,1H3/b14-11-
InChIKeyBUIQWLQNEBSDRC-KAMYIIQDSA-N
MW253.35 g/mol
LogP3.20
Rot. Bonds3

About 4-[(5Z)-5-(aminomethylidene)-1-ethenylpyrrolidin-2-yl]-3-ethylbenzonitrile

4-[(5Z)-5-(aminomethylidene)-1-ethenylpyrrolidin-2-yl]-3-ethylbenzonitrile (PubChem CID 70318509) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 4-[(5Z)-5-(aminomethylidene)-1-ethenylpyrrolidin-2-yl]-3-ethylbenzonitrile.

Molecular Properties

Compound Name4-[(5Z)-5-(aminomethylidene)-1-ethenylpyrrolidin-2-yl]-3-ethylbenzonitrile
PubChem CID70318509
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name4-[(5Z)-5-(aminomethylidene)-1-ethenylpyrrolidin-2-yl]-3-ethylbenzonitrile
SMILESC=CN1/C(=C\N)CCC1c1ccc(C#N)cc1CC
InChIInChI=1S/C16H19N3/c1-3-13-9-12(10-17)5-7-15(13)16-8-6-14(11-18)19(16)4-2/h4-5,7,9,11,16H,2-3,6,8,18H2,1H3/b14-11-
InChIKeyBUIQWLQNEBSDRC-KAMYIIQDSA-N
XLogP3.20
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(5Z)-5-(aminomethylidene)-1-ethenylpyrrolidin-2-yl]-3-ethylbenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(5Z)-5-(aminomethylidene)-1-ethenylpyrrolidin-2-yl]-3-ethylbenzonitrile?
The IUPAC name of 4-[(5Z)-5-(aminomethylidene)-1-ethenylpyrrolidin-2-yl]-3-ethylbenzonitrile (CID 70318509) is 4-[(5Z)-5-(aminomethylidene)-1-ethenylpyrrolidin-2-yl]-3-ethylbenzonitrile.
What is the SMILES notation for 4-[(5Z)-5-(aminomethylidene)-1-ethenylpyrrolidin-2-yl]-3-ethylbenzonitrile?
The canonical SMILES for 4-[(5Z)-5-(aminomethylidene)-1-ethenylpyrrolidin-2-yl]-3-ethylbenzonitrile is C=CN1/C(=C\N)CCC1c1ccc(C#N)cc1CC.
What is the InChIKey of 4-[(5Z)-5-(aminomethylidene)-1-ethenylpyrrolidin-2-yl]-3-ethylbenzonitrile?
The InChIKey is BUIQWLQNEBSDRC-KAMYIIQDSA-N. The full InChI is InChI=1S/C16H19N3/c1-3-13-9-12(10-17)5-7-15(13)16-8-6-14(11-18)19(16)4-2/h4-5,7,9,11,16H,2-3,6,8,18H2,1H3/b14-11-.
What are the key properties of 4-[(5Z)-5-(aminomethylidene)-1-ethenylpyrrolidin-2-yl]-3-ethylbenzonitrile?
4-[(5Z)-5-(aminomethylidene)-1-ethenylpyrrolidin-2-yl]-3-ethylbenzonitrile has a molecular weight of 253.35 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5Z)-5-(aminomethylidene)-1-ethenylpyrrolidin-2-yl]-3-ethylbenzonitrile is sourced from PubChem (CID 70318509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).