N-but-2-enylideneformamide

C5H7NO — CID 57148685

IUPACN-but-2-enylideneformamide
SMILESCC=C/C=N/C=O
InChIInChI=1S/C5H7NO/c1-2-3-4-6-5-7/h2-5H,1H3/b3-2?,6-4+
InChIKeyRWRANEGSDLFHPI-KMSZJSRBSA-N
MW97.12 g/mol
LogP0.79
Rot. Bonds2

About N-but-2-enylideneformamide

N-but-2-enylideneformamide (PubChem CID 57148685) has the molecular formula C5H7NO and a molecular weight of 97.12 g/mol. Its IUPAC name is N-but-2-enylideneformamide.

Molecular Properties

Compound NameN-but-2-enylideneformamide
PubChem CID57148685
Molecular FormulaC5H7NO
Molecular Weight97.12 g/mol
Exact Mass97.05
IUPAC NameN-but-2-enylideneformamide
SMILESCC=C/C=N/C=O
InChIInChI=1S/C5H7NO/c1-2-3-4-6-5-7/h2-5H,1H3/b3-2?,6-4+
InChIKeyRWRANEGSDLFHPI-KMSZJSRBSA-N
XLogP0.79
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.12
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-formyliminoethylidene)formamide
CID 88538309
(Z)-2-[[(Z)-but-2-enylidene]amino]-N,N-dimethylethenamine
CID 167113883
N-[(Z)-[(E)-but-2-enylidene]amino]-N-methylmethanamine
CID 5370316
but-2-enal;chromium
CID 174881364
but-2-enal;hydron
CID 174715160
(4E)-hexa-2,4-diene
CID 22435466
N,N'-bis(but-2-enylideneamino)hexanediamide
CID 4148126
(2E)-N-[(1Z,3E)-penta-1,3-dienyl]penta-2,4-dien-1-imine
CID 144631744
[(Z)-[(Z)-but-2-enylidene]amino]urea
CID 92532250
1-[(Z)-[(Z)-but-2-enylidene]amino]ethenol
CID 143375419
(4Z,6E)-octa-4,6-dienal
CID 58249814
CID 175203398
CID 175203398

Frequently Asked Questions

What is the IUPAC name of N-but-2-enylideneformamide?
The IUPAC name of N-but-2-enylideneformamide (CID 57148685) is N-but-2-enylideneformamide.
What is the SMILES notation for N-but-2-enylideneformamide?
The canonical SMILES for N-but-2-enylideneformamide is CC=C/C=N/C=O.
What is the InChIKey of N-but-2-enylideneformamide?
The InChIKey is RWRANEGSDLFHPI-KMSZJSRBSA-N. The full InChI is InChI=1S/C5H7NO/c1-2-3-4-6-5-7/h2-5H,1H3/b3-2?,6-4+.
What are the key properties of N-but-2-enylideneformamide?
N-but-2-enylideneformamide has a molecular weight of 97.12 g/mol, XLogP of 0.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-2-enylideneformamide is sourced from PubChem (CID 57148685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).