N-(2-iminobut-3-enyl)butanamide

C8H14N2O — CID 144540772

IUPACN-(2-iminobut-3-enyl)butanamide
SMILES[H]/N=C(\C=C)CNC(=O)CCC
InChIInChI=1S/C8H14N2O/c1-3-5-8(11)10-6-7(9)4-2/h4,9H,2-3,5-6H2,1H3,(H,10,11)/b9-7+
InChIKeyYFLWMPAQELPXSN-VQHVLOKHSA-N
MW154.21 g/mol
LogP1.11
Rot. Bonds5

About N-(2-iminobut-3-enyl)butanamide

N-(2-iminobut-3-enyl)butanamide (PubChem CID 144540772) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is N-(2-iminobut-3-enyl)butanamide.

Molecular Properties

Compound NameN-(2-iminobut-3-enyl)butanamide
PubChem CID144540772
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC NameN-(2-iminobut-3-enyl)butanamide
SMILES[H]/N=C(\C=C)CNC(=O)CCC
InChIInChI=1S/C8H14N2O/c1-3-5-8(11)10-6-7(9)4-2/h4,9H,2-3,5-6H2,1H3,(H,10,11)/b9-7+
InChIKeyYFLWMPAQELPXSN-VQHVLOKHSA-N
XLogP1.11
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-imino-N-prop-2-enylbutanamide
CID 54373009
2-(but-3-en-2-ylideneamino)-N-propylacetamide
CID 123402459
N-(3-aminopropyl)-2-iminobut-3-enamide
CID 123991360
N-[(Z)-2-methyliminopent-3-enyl]acetamide
CID 124182649
N-(cyclopropylmethyl)-2-methyliminobut-3-enamide
CID 134479764
N-(cyclopropylmethyl)-2-iminobut-3-enamide
CID 134479844
2-imino-N-(3-methylbut-3-enyl)propanamide
CID 138742171
N-butyl-2-ethenyliminobut-3-enamide
CID 142959978
N-(2-iminobut-3-enyl)butanamide;methanimine;molecular hydrogen
CID 144540771
N-ethylazete-2-carboxamide
CID 154494778
(Z)-N-ethyl-3-ethyliminohex-4-enamide;molecular hydrogen
CID 154677655
N-(cyclopropylmethyl)-2-ethyliminobut-3-enamide
CID 155083387

Frequently Asked Questions

What is the IUPAC name of N-(2-iminobut-3-enyl)butanamide?
The IUPAC name of N-(2-iminobut-3-enyl)butanamide (CID 144540772) is N-(2-iminobut-3-enyl)butanamide.
What is the SMILES notation for N-(2-iminobut-3-enyl)butanamide?
The canonical SMILES for N-(2-iminobut-3-enyl)butanamide is [H]/N=C(\C=C)CNC(=O)CCC.
What is the InChIKey of N-(2-iminobut-3-enyl)butanamide?
The InChIKey is YFLWMPAQELPXSN-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H14N2O/c1-3-5-8(11)10-6-7(9)4-2/h4,9H,2-3,5-6H2,1H3,(H,10,11)/b9-7+.
What are the key properties of N-(2-iminobut-3-enyl)butanamide?
N-(2-iminobut-3-enyl)butanamide has a molecular weight of 154.21 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iminobut-3-enyl)butanamide is sourced from PubChem (CID 144540772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).