N-propylidenebutanamide

C7H13NO — CID 167276769

IUPACN-propylidenebutanamide
SMILESCC/C=N/C(=O)CCC
InChIInChI=1S/C7H13NO/c1-3-5-7(9)8-6-4-2/h6H,3-5H2,1-2H3/b8-6+
InChIKeyVRVJHODRMRIOFO-SOFGYWHQSA-N
MW127.19 g/mol
LogP1.79
Rot. Bonds3

About N-propylidenebutanamide

N-propylidenebutanamide (PubChem CID 167276769) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is N-propylidenebutanamide.

Molecular Properties

Compound NameN-propylidenebutanamide
PubChem CID167276769
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC NameN-propylidenebutanamide
SMILESCC/C=N/C(=O)CCC
InChIInChI=1S/C7H13NO/c1-3-5-7(9)8-6-4-2/h6H,3-5H2,1-2H3/b8-6+
InChIKeyVRVJHODRMRIOFO-SOFGYWHQSA-N
XLogP1.79
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
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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Frequently Asked Questions

What is the IUPAC name of N-propylidenebutanamide?
The IUPAC name of N-propylidenebutanamide (CID 167276769) is N-propylidenebutanamide.
What is the SMILES notation for N-propylidenebutanamide?
The canonical SMILES for N-propylidenebutanamide is CC/C=N/C(=O)CCC.
What is the InChIKey of N-propylidenebutanamide?
The InChIKey is VRVJHODRMRIOFO-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H13NO/c1-3-5-7(9)8-6-4-2/h6H,3-5H2,1-2H3/b8-6+.
What are the key properties of N-propylidenebutanamide?
N-propylidenebutanamide has a molecular weight of 127.19 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-propylidenebutanamide is sourced from PubChem (CID 167276769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).