N-propylidenecyclopropanecarboxamide

C7H11NO — CID 57263406

IUPACN-propylidenecyclopropanecarboxamide
SMILESCC/C=N/C(=O)C1CC1
InChIInChI=1S/C7H11NO/c1-2-5-8-7(9)6-3-4-6/h5-6H,2-4H2,1H3/b8-5+
InChIKeyABTDCBHCALRJFV-VMPITWQZSA-N
MW125.17 g/mol
LogP1.40
Rot. Bonds2

About N-propylidenecyclopropanecarboxamide

N-propylidenecyclopropanecarboxamide (PubChem CID 57263406) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is N-propylidenecyclopropanecarboxamide.

Molecular Properties

Compound NameN-propylidenecyclopropanecarboxamide
PubChem CID57263406
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC NameN-propylidenecyclopropanecarboxamide
SMILESCC/C=N/C(=O)C1CC1
InChIInChI=1S/C7H11NO/c1-2-5-8-7(9)6-3-4-6/h5-6H,2-4H2,1H3/b8-5+
InChIKeyABTDCBHCALRJFV-VMPITWQZSA-N
XLogP1.40
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.40
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-butylidenecyclopropanecarboxamide
CID 56976911
N-ethylidenecyclopropanecarboxamide
CID 57075754
N-pentylidenecyclopropanecarboxamide
CID 57125417
(3R)-3-propan-2-yl-3H-azet-2-one
CID 58112528
N-ethylidenebutanamide
CID 89371556
3,4-Dihydropyrrol-2-one;ethane
CID 123629012
3-Methyl-3,4-dihydropyrrol-2-one
CID 141787562
N-ethylidene-2-methylpropanamide
CID 142333118
(3S)-3-methyl-3,4-dihydropyrrol-2-one
CID 143664764
N-butylidene-2-methylpropanamide
CID 166776151
N-propylidenebutanamide
CID 167276769

Frequently Asked Questions

What is the IUPAC name of N-propylidenecyclopropanecarboxamide?
The IUPAC name of N-propylidenecyclopropanecarboxamide (CID 57263406) is N-propylidenecyclopropanecarboxamide.
What is the SMILES notation for N-propylidenecyclopropanecarboxamide?
The canonical SMILES for N-propylidenecyclopropanecarboxamide is CC/C=N/C(=O)C1CC1.
What is the InChIKey of N-propylidenecyclopropanecarboxamide?
The InChIKey is ABTDCBHCALRJFV-VMPITWQZSA-N. The full InChI is InChI=1S/C7H11NO/c1-2-5-8-7(9)6-3-4-6/h5-6H,2-4H2,1H3/b8-5+.
What are the key properties of N-propylidenecyclopropanecarboxamide?
N-propylidenecyclopropanecarboxamide has a molecular weight of 125.17 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propylidenecyclopropanecarboxamide is sourced from PubChem (CID 57263406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).