N-(methylideneamino)cyclopentanecarboxamide

C7H12N2O — CID 161304719

IUPACN-(methylideneamino)cyclopentanecarboxamide
SMILESC=NNC(=O)C1CCCC1
InChIInChI=1S/C7H12N2O/c1-8-9-7(10)6-4-2-3-5-6/h6H,1-5H2,(H,9,10)
InChIKeyVICCTQURAWFTPF-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.91
Rot. Bonds2

About N-(methylideneamino)cyclopentanecarboxamide

N-(methylideneamino)cyclopentanecarboxamide (PubChem CID 161304719) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is N-(methylideneamino)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(methylideneamino)cyclopentanecarboxamide
PubChem CID161304719
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC NameN-(methylideneamino)cyclopentanecarboxamide
SMILESC=NNC(=O)C1CCCC1
InChIInChI=1S/C7H12N2O/c1-8-9-7(10)6-4-2-3-5-6/h6H,1-5H2,(H,9,10)
InChIKeyVICCTQURAWFTPF-UHFFFAOYSA-N
XLogP0.91
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(methylideneamino)cyclopentanecarboxamide?
The IUPAC name of N-(methylideneamino)cyclopentanecarboxamide (CID 161304719) is N-(methylideneamino)cyclopentanecarboxamide.
What is the SMILES notation for N-(methylideneamino)cyclopentanecarboxamide?
The canonical SMILES for N-(methylideneamino)cyclopentanecarboxamide is C=NNC(=O)C1CCCC1.
What is the InChIKey of N-(methylideneamino)cyclopentanecarboxamide?
The InChIKey is VICCTQURAWFTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-8-9-7(10)6-4-2-3-5-6/h6H,1-5H2,(H,9,10).
What are the key properties of N-(methylideneamino)cyclopentanecarboxamide?
N-(methylideneamino)cyclopentanecarboxamide has a molecular weight of 140.19 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylideneamino)cyclopentanecarboxamide is sourced from PubChem (CID 161304719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).