N-butylidenecyclopropanecarboxamide

C8H13NO — CID 56976911

IUPACN-butylidenecyclopropanecarboxamide
SMILESCCC/C=N/C(=O)C1CC1
InChIInChI=1S/C8H13NO/c1-2-3-6-9-8(10)7-4-5-7/h6-7H,2-5H2,1H3/b9-6+
InChIKeyVPUIPGOVJQXMOV-RMKNXTFCSA-N
MW139.20 g/mol
LogP1.79
Rot. Bonds3

About N-butylidenecyclopropanecarboxamide

N-butylidenecyclopropanecarboxamide (PubChem CID 56976911) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is N-butylidenecyclopropanecarboxamide.

Molecular Properties

Compound NameN-butylidenecyclopropanecarboxamide
PubChem CID56976911
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC NameN-butylidenecyclopropanecarboxamide
SMILESCCC/C=N/C(=O)C1CC1
InChIInChI=1S/C8H13NO/c1-2-3-6-9-8(10)7-4-5-7/h6-7H,2-5H2,1H3/b9-6+
InChIKeyVPUIPGOVJQXMOV-RMKNXTFCSA-N
XLogP1.79
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-ethylidene-2-methylbutanamide
CID 20716715
N-ethylidenecyclopropanecarboxamide
CID 57075754
N-pentylidenecyclopropanecarboxamide
CID 57125417
N-propylidenecyclopropanecarboxamide
CID 57263406
(3R)-3-propan-2-yl-3H-azet-2-one
CID 58112528
N-butylidene-2-methylpropanamide
CID 166776151
N-propylidenebutanamide
CID 167276769
3,4-Dimethyl-3,4-dihydropyrrol-2-one
CID 13794999
3-methyl-N-(2-methylpropylidene)butanamide
CID 21122211
(3S,4S)-3,4-dimethyl-3,4-dihydropyrrol-2-one
CID 71407952
N-(2-methylpropylidene)propanamide
CID 143780895

Frequently Asked Questions

What is the IUPAC name of N-butylidenecyclopropanecarboxamide?
The IUPAC name of N-butylidenecyclopropanecarboxamide (CID 56976911) is N-butylidenecyclopropanecarboxamide.
What is the SMILES notation for N-butylidenecyclopropanecarboxamide?
The canonical SMILES for N-butylidenecyclopropanecarboxamide is CCC/C=N/C(=O)C1CC1.
What is the InChIKey of N-butylidenecyclopropanecarboxamide?
The InChIKey is VPUIPGOVJQXMOV-RMKNXTFCSA-N. The full InChI is InChI=1S/C8H13NO/c1-2-3-6-9-8(10)7-4-5-7/h6-7H,2-5H2,1H3/b9-6+.
What are the key properties of N-butylidenecyclopropanecarboxamide?
N-butylidenecyclopropanecarboxamide has a molecular weight of 139.20 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butylidenecyclopropanecarboxamide is sourced from PubChem (CID 56976911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).