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

C11H20N2O — CID 130935265

IUPACN-[3-(aminomethyl)cyclopentyl]-3-methylbut-2-enamide
SMILESCC(C)=CC(=O)NC1CCC(CN)C1
InChIInChI=1S/C11H20N2O/c1-8(2)5-11(14)13-10-4-3-9(6-10)7-12/h5,9-10H,3-4,6-7,12H2,1-2H3,(H,13,14)
InChIKeyFOOIRZLPXAFKHX-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.20
Rot. Bonds3

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

N-[3-(aminomethyl)cyclopentyl]-3-methylbut-2-enamide (PubChem CID 130935265) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is N-[3-(aminomethyl)cyclopentyl]-3-methylbut-2-enamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)cyclopentyl]-3-methylbut-2-enamide
PubChem CID130935265
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC NameN-[3-(aminomethyl)cyclopentyl]-3-methylbut-2-enamide
SMILESCC(C)=CC(=O)NC1CCC(CN)C1
InChIInChI=1S/C11H20N2O/c1-8(2)5-11(14)13-10-4-3-9(6-10)7-12/h5,9-10H,3-4,6-7,12H2,1-2H3,(H,13,14)
InChIKeyFOOIRZLPXAFKHX-UHFFFAOYSA-N
XLogP1.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.20
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]-3-methylbut-2-enamide?
The IUPAC name of N-[3-(aminomethyl)cyclopentyl]-3-methylbut-2-enamide (CID 130935265) is N-[3-(aminomethyl)cyclopentyl]-3-methylbut-2-enamide.
What is the SMILES notation for N-[3-(aminomethyl)cyclopentyl]-3-methylbut-2-enamide?
The canonical SMILES for N-[3-(aminomethyl)cyclopentyl]-3-methylbut-2-enamide is CC(C)=CC(=O)NC1CCC(CN)C1.
What is the InChIKey of N-[3-(aminomethyl)cyclopentyl]-3-methylbut-2-enamide?
The InChIKey is FOOIRZLPXAFKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-8(2)5-11(14)13-10-4-3-9(6-10)7-12/h5,9-10H,3-4,6-7,12H2,1-2H3,(H,13,14).
What are the key properties of N-[3-(aminomethyl)cyclopentyl]-3-methylbut-2-enamide?
N-[3-(aminomethyl)cyclopentyl]-3-methylbut-2-enamide has a molecular weight of 196.29 g/mol, XLogP of 1.20, 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]-3-methylbut-2-enamide is sourced from PubChem (CID 130935265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).