N-pentylidenecyclopropanecarboxamide

C9H15NO — CID 57125417

IUPACN-pentylidenecyclopropanecarboxamide
SMILESCCCC/C=N/C(=O)C1CC1
InChIInChI=1S/C9H15NO/c1-2-3-4-7-10-9(11)8-5-6-8/h7-8H,2-6H2,1H3/b10-7+
InChIKeyPBCZMGHKEWZHPH-JXMROGBWSA-N
MW153.22 g/mol
LogP2.18
Rot. Bonds4

About N-pentylidenecyclopropanecarboxamide

N-pentylidenecyclopropanecarboxamide (PubChem CID 57125417) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is N-pentylidenecyclopropanecarboxamide.

Molecular Properties

Compound NameN-pentylidenecyclopropanecarboxamide
PubChem CID57125417
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC NameN-pentylidenecyclopropanecarboxamide
SMILESCCCC/C=N/C(=O)C1CC1
InChIInChI=1S/C9H15NO/c1-2-3-4-7-10-9(11)8-5-6-8/h7-8H,2-6H2,1H3/b10-7+
InChIKeyPBCZMGHKEWZHPH-JXMROGBWSA-N
XLogP2.18
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-pentylidenecyclopropanecarboxamide?
The IUPAC name of N-pentylidenecyclopropanecarboxamide (CID 57125417) is N-pentylidenecyclopropanecarboxamide.
What is the SMILES notation for N-pentylidenecyclopropanecarboxamide?
The canonical SMILES for N-pentylidenecyclopropanecarboxamide is CCCC/C=N/C(=O)C1CC1.
What is the InChIKey of N-pentylidenecyclopropanecarboxamide?
The InChIKey is PBCZMGHKEWZHPH-JXMROGBWSA-N. The full InChI is InChI=1S/C9H15NO/c1-2-3-4-7-10-9(11)8-5-6-8/h7-8H,2-6H2,1H3/b10-7+.
What are the key properties of N-pentylidenecyclopropanecarboxamide?
N-pentylidenecyclopropanecarboxamide has a molecular weight of 153.22 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentylidenecyclopropanecarboxamide is sourced from PubChem (CID 57125417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).