N-[3-(aminomethyl)cyclopentyl]prop-2-enamide

C9H16N2O — CID 131166131

IUPACN-[3-(aminomethyl)cyclopentyl]prop-2-enamide
SMILESC=CC(=O)NC1CCC(CN)C1
InChIInChI=1S/C9H16N2O/c1-2-9(12)11-8-4-3-7(5-8)6-10/h2,7-8H,1,3-6,10H2,(H,11,12)
InChIKeyUYHNLTMHYGBVJC-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.42
Rot. Bonds3

About N-[3-(aminomethyl)cyclopentyl]prop-2-enamide

N-[3-(aminomethyl)cyclopentyl]prop-2-enamide (PubChem CID 131166131) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is N-[3-(aminomethyl)cyclopentyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)cyclopentyl]prop-2-enamide
PubChem CID131166131
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC NameN-[3-(aminomethyl)cyclopentyl]prop-2-enamide
SMILESC=CC(=O)NC1CCC(CN)C1
InChIInChI=1S/C9H16N2O/c1-2-9(12)11-8-4-3-7(5-8)6-10/h2,7-8H,1,3-6,10H2,(H,11,12)
InChIKeyUYHNLTMHYGBVJC-UHFFFAOYSA-N
XLogP0.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)cyclopentyl]prop-2-enamide?
The IUPAC name of N-[3-(aminomethyl)cyclopentyl]prop-2-enamide (CID 131166131) is N-[3-(aminomethyl)cyclopentyl]prop-2-enamide.
What is the SMILES notation for N-[3-(aminomethyl)cyclopentyl]prop-2-enamide?
The canonical SMILES for N-[3-(aminomethyl)cyclopentyl]prop-2-enamide is C=CC(=O)NC1CCC(CN)C1.
What is the InChIKey of N-[3-(aminomethyl)cyclopentyl]prop-2-enamide?
The InChIKey is UYHNLTMHYGBVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-2-9(12)11-8-4-3-7(5-8)6-10/h2,7-8H,1,3-6,10H2,(H,11,12).
What are the key properties of N-[3-(aminomethyl)cyclopentyl]prop-2-enamide?
N-[3-(aminomethyl)cyclopentyl]prop-2-enamide has a molecular weight of 168.24 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)cyclopentyl]prop-2-enamide is sourced from PubChem (CID 131166131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).