N-hex-5-enyl-N-methylimidazole-1-carboxamide

C11H17N3O — CID 59533450

IUPACN-hex-5-enyl-N-methylimidazole-1-carboxamide
SMILESC=CCCCCN(C)C(=O)n1ccnc1
InChIInChI=1S/C11H17N3O/c1-3-4-5-6-8-13(2)11(15)14-9-7-12-10-14/h3,7,9-10H,1,4-6,8H2,2H3
InChIKeyQFFRASRNMVIZKX-UHFFFAOYSA-N
MW207.28 g/mol
LogP2.14
Rot. Bonds5

About N-hex-5-enyl-N-methylimidazole-1-carboxamide

N-hex-5-enyl-N-methylimidazole-1-carboxamide (PubChem CID 59533450) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is N-hex-5-enyl-N-methylimidazole-1-carboxamide.

Molecular Properties

Compound NameN-hex-5-enyl-N-methylimidazole-1-carboxamide
PubChem CID59533450
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC NameN-hex-5-enyl-N-methylimidazole-1-carboxamide
SMILESC=CCCCCN(C)C(=O)n1ccnc1
InChIInChI=1S/C11H17N3O/c1-3-4-5-6-8-13(2)11(15)14-9-7-12-10-14/h3,7,9-10H,1,4-6,8H2,2H3
InChIKeyQFFRASRNMVIZKX-UHFFFAOYSA-N
XLogP2.14
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hex-5-enyl-N-methylimidazole-1-carboxamide?
The IUPAC name of N-hex-5-enyl-N-methylimidazole-1-carboxamide (CID 59533450) is N-hex-5-enyl-N-methylimidazole-1-carboxamide.
What is the SMILES notation for N-hex-5-enyl-N-methylimidazole-1-carboxamide?
The canonical SMILES for N-hex-5-enyl-N-methylimidazole-1-carboxamide is C=CCCCCN(C)C(=O)n1ccnc1.
What is the InChIKey of N-hex-5-enyl-N-methylimidazole-1-carboxamide?
The InChIKey is QFFRASRNMVIZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-3-4-5-6-8-13(2)11(15)14-9-7-12-10-14/h3,7,9-10H,1,4-6,8H2,2H3.
What are the key properties of N-hex-5-enyl-N-methylimidazole-1-carboxamide?
N-hex-5-enyl-N-methylimidazole-1-carboxamide has a molecular weight of 207.28 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-5-enyl-N-methylimidazole-1-carboxamide is sourced from PubChem (CID 59533450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).