N-butyl-2-ethenyliminobut-3-enamide

C10H16N2O — CID 142959978

IUPACN-butyl-2-ethenyliminobut-3-enamide
SMILESC=C/N=C(\C=C)C(=O)NCCCC
InChIInChI=1S/C10H16N2O/c1-4-7-8-12-10(13)9(5-2)11-6-3/h5-6H,2-4,7-8H2,1H3,(H,12,13)/b11-9+
InChIKeyGVYPZXVJFBJINT-PKNBQFBNSA-N
MW180.25 g/mol
LogP1.67
Rot. Bonds6

About N-butyl-2-ethenyliminobut-3-enamide

N-butyl-2-ethenyliminobut-3-enamide (PubChem CID 142959978) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is N-butyl-2-ethenyliminobut-3-enamide.

Molecular Properties

Compound NameN-butyl-2-ethenyliminobut-3-enamide
PubChem CID142959978
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC NameN-butyl-2-ethenyliminobut-3-enamide
SMILESC=C/N=C(\C=C)C(=O)NCCCC
InChIInChI=1S/C10H16N2O/c1-4-7-8-12-10(13)9(5-2)11-6-3/h5-6H,2-4,7-8H2,1H3,(H,12,13)/b11-9+
InChIKeyGVYPZXVJFBJINT-PKNBQFBNSA-N
XLogP1.67
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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N-butyl-1,4-oxazepine-5-carboxamide
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2-ethenylimino-N-[2-(4-methylpiperazin-1-yl)ethyl]but-3-enamide
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N-ethyl-4-(prop-2-enylideneamino)but-3-enamide
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N-(3,4-dihydropyridin-2-ylmethyl)acetamide
CID 126633453
2-ethenylimino-N-piperidin-4-ylbut-3-enamide
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N-(cyclopropylmethyl)-2-methyliminobut-3-enamide
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4-amino-N-[4-[(Z)-prop-1-enyl]iminopentyl]butanamide
CID 137427804

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-ethenyliminobut-3-enamide?
The IUPAC name of N-butyl-2-ethenyliminobut-3-enamide (CID 142959978) is N-butyl-2-ethenyliminobut-3-enamide.
What is the SMILES notation for N-butyl-2-ethenyliminobut-3-enamide?
The canonical SMILES for N-butyl-2-ethenyliminobut-3-enamide is C=C/N=C(\C=C)C(=O)NCCCC.
What is the InChIKey of N-butyl-2-ethenyliminobut-3-enamide?
The InChIKey is GVYPZXVJFBJINT-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H16N2O/c1-4-7-8-12-10(13)9(5-2)11-6-3/h5-6H,2-4,7-8H2,1H3,(H,12,13)/b11-9+.
What are the key properties of N-butyl-2-ethenyliminobut-3-enamide?
N-butyl-2-ethenyliminobut-3-enamide has a molecular weight of 180.25 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-ethenyliminobut-3-enamide is sourced from PubChem (CID 142959978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).