2-imino-N-(3-methylbut-3-enyl)propanamide

C8H14N2O — CID 138742171

IUPAC2-imino-N-(3-methylbut-3-enyl)propanamide
SMILES[H]/N=C(\C)C(=O)NCCC(=C)C
InChIInChI=1S/C8H14N2O/c1-6(2)4-5-10-8(11)7(3)9/h9H,1,4-5H2,2-3H3,(H,10,11)/b9-7+
InChIKeyCLZQBQMCGIUEKT-VQHVLOKHSA-N
MW154.21 g/mol
LogP1.11
Rot. Bonds4

About 2-imino-N-(3-methylbut-3-enyl)propanamide

2-imino-N-(3-methylbut-3-enyl)propanamide (PubChem CID 138742171) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-imino-N-(3-methylbut-3-enyl)propanamide.

Molecular Properties

Compound Name2-imino-N-(3-methylbut-3-enyl)propanamide
PubChem CID138742171
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name2-imino-N-(3-methylbut-3-enyl)propanamide
SMILES[H]/N=C(\C)C(=O)NCCC(=C)C
InChIInChI=1S/C8H14N2O/c1-6(2)4-5-10-8(11)7(3)9/h9H,1,4-5H2,2-3H3,(H,10,11)/b9-7+
InChIKeyCLZQBQMCGIUEKT-VQHVLOKHSA-N
XLogP1.11
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-imino-N-(3-methylbut-3-enyl)propanamide?
The IUPAC name of 2-imino-N-(3-methylbut-3-enyl)propanamide (CID 138742171) is 2-imino-N-(3-methylbut-3-enyl)propanamide.
What is the SMILES notation for 2-imino-N-(3-methylbut-3-enyl)propanamide?
The canonical SMILES for 2-imino-N-(3-methylbut-3-enyl)propanamide is [H]/N=C(\C)C(=O)NCCC(=C)C.
What is the InChIKey of 2-imino-N-(3-methylbut-3-enyl)propanamide?
The InChIKey is CLZQBQMCGIUEKT-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H14N2O/c1-6(2)4-5-10-8(11)7(3)9/h9H,1,4-5H2,2-3H3,(H,10,11)/b9-7+.
What are the key properties of 2-imino-N-(3-methylbut-3-enyl)propanamide?
2-imino-N-(3-methylbut-3-enyl)propanamide has a molecular weight of 154.21 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-N-(3-methylbut-3-enyl)propanamide is sourced from PubChem (CID 138742171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).