N-ethylidenecyclopropanecarboxamide

C6H9NO — CID 57075754

IUPACN-ethylidenecyclopropanecarboxamide
SMILESC/C=N/C(=O)C1CC1
InChIInChI=1S/C6H9NO/c1-2-7-6(8)5-3-4-5/h2,5H,3-4H2,1H3/b7-2+
InChIKeyBLGQLNGDZABVQQ-FARCUNLSSA-N
MW111.14 g/mol
LogP1.01
Rot. Bonds1

About N-ethylidenecyclopropanecarboxamide

N-ethylidenecyclopropanecarboxamide (PubChem CID 57075754) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is N-ethylidenecyclopropanecarboxamide.

Molecular Properties

Compound NameN-ethylidenecyclopropanecarboxamide
PubChem CID57075754
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC NameN-ethylidenecyclopropanecarboxamide
SMILESC/C=N/C(=O)C1CC1
InChIInChI=1S/C6H9NO/c1-2-7-6(8)5-3-4-5/h2,5H,3-4H2,1H3/b7-2+
InChIKeyBLGQLNGDZABVQQ-FARCUNLSSA-N
XLogP1.01
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 51.01
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-ethylidenecyclopropanecarboxamide?
The IUPAC name of N-ethylidenecyclopropanecarboxamide (CID 57075754) is N-ethylidenecyclopropanecarboxamide.
What is the SMILES notation for N-ethylidenecyclopropanecarboxamide?
The canonical SMILES for N-ethylidenecyclopropanecarboxamide is C/C=N/C(=O)C1CC1.
What is the InChIKey of N-ethylidenecyclopropanecarboxamide?
The InChIKey is BLGQLNGDZABVQQ-FARCUNLSSA-N. The full InChI is InChI=1S/C6H9NO/c1-2-7-6(8)5-3-4-5/h2,5H,3-4H2,1H3/b7-2+.
What are the key properties of N-ethylidenecyclopropanecarboxamide?
N-ethylidenecyclopropanecarboxamide has a molecular weight of 111.14 g/mol, XLogP of 1.01, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylidenecyclopropanecarboxamide is sourced from PubChem (CID 57075754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).