N-ethylidenebutanamide

C6H11NO — CID 89371556

IUPACN-ethylidenebutanamide
SMILESC/C=N/C(=O)CCC
InChIInChI=1S/C6H11NO/c1-3-5-6(8)7-4-2/h4H,3,5H2,1-2H3/b7-4+
InChIKeySMSKRTVEUYDOCV-QPJJXVBHSA-N
MW113.16 g/mol
LogP1.40
Rot. Bonds2

About N-ethylidenebutanamide

N-ethylidenebutanamide (PubChem CID 89371556) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is N-ethylidenebutanamide.

Molecular Properties

Compound NameN-ethylidenebutanamide
PubChem CID89371556
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC NameN-ethylidenebutanamide
SMILESC/C=N/C(=O)CCC
InChIInChI=1S/C6H11NO/c1-3-5-6(8)7-4-2/h4H,3,5H2,1-2H3/b7-4+
InChIKeySMSKRTVEUYDOCV-QPJJXVBHSA-N
XLogP1.40
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
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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Frequently Asked Questions

What is the IUPAC name of N-ethylidenebutanamide?
The IUPAC name of N-ethylidenebutanamide (CID 89371556) is N-ethylidenebutanamide.
What is the SMILES notation for N-ethylidenebutanamide?
The canonical SMILES for N-ethylidenebutanamide is C/C=N/C(=O)CCC.
What is the InChIKey of N-ethylidenebutanamide?
The InChIKey is SMSKRTVEUYDOCV-QPJJXVBHSA-N. The full InChI is InChI=1S/C6H11NO/c1-3-5-6(8)7-4-2/h4H,3,5H2,1-2H3/b7-4+.
What are the key properties of N-ethylidenebutanamide?
N-ethylidenebutanamide has a molecular weight of 113.16 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-ethylidenebutanamide is sourced from PubChem (CID 89371556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).