N-(3-hydroxy-3-prop-2-enylhex-5-en-2-yl)-1H-imidazole-2-carboxamide

C13H19N3O2 — CID 131898376

IUPACN-(3-hydroxy-3-prop-2-enylhex-5-en-2-yl)-1H-imidazole-2-carboxamide
SMILESC=CCC(O)(CC=C)C(C)NC(=O)c1ncc[nH]1
InChIInChI=1S/C13H19N3O2/c1-4-6-13(18,7-5-2)10(3)16-12(17)11-14-8-9-15-11/h4-5,8-10,18H,1-2,6-7H2,3H3,(H,14,15)(H,16,17)
InChIKeyJMVGMVMFIKCDJH-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.41
Rot. Bonds7

About N-(3-hydroxy-3-prop-2-enylhex-5-en-2-yl)-1H-imidazole-2-carboxamide

N-(3-hydroxy-3-prop-2-enylhex-5-en-2-yl)-1H-imidazole-2-carboxamide (PubChem CID 131898376) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-(3-hydroxy-3-prop-2-enylhex-5-en-2-yl)-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-3-prop-2-enylhex-5-en-2-yl)-1H-imidazole-2-carboxamide
PubChem CID131898376
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-(3-hydroxy-3-prop-2-enylhex-5-en-2-yl)-1H-imidazole-2-carboxamide
SMILESC=CCC(O)(CC=C)C(C)NC(=O)c1ncc[nH]1
InChIInChI=1S/C13H19N3O2/c1-4-6-13(18,7-5-2)10(3)16-12(17)11-14-8-9-15-11/h4-5,8-10,18H,1-2,6-7H2,3H3,(H,14,15)(H,16,17)
InChIKeyJMVGMVMFIKCDJH-UHFFFAOYSA-N
XLogP1.41
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-3-prop-2-enylhex-5-en-2-yl)-1H-imidazole-2-carboxamide?
The IUPAC name of N-(3-hydroxy-3-prop-2-enylhex-5-en-2-yl)-1H-imidazole-2-carboxamide (CID 131898376) is N-(3-hydroxy-3-prop-2-enylhex-5-en-2-yl)-1H-imidazole-2-carboxamide.
What is the SMILES notation for N-(3-hydroxy-3-prop-2-enylhex-5-en-2-yl)-1H-imidazole-2-carboxamide?
The canonical SMILES for N-(3-hydroxy-3-prop-2-enylhex-5-en-2-yl)-1H-imidazole-2-carboxamide is C=CCC(O)(CC=C)C(C)NC(=O)c1ncc[nH]1.
What is the InChIKey of N-(3-hydroxy-3-prop-2-enylhex-5-en-2-yl)-1H-imidazole-2-carboxamide?
The InChIKey is JMVGMVMFIKCDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-4-6-13(18,7-5-2)10(3)16-12(17)11-14-8-9-15-11/h4-5,8-10,18H,1-2,6-7H2,3H3,(H,14,15)(H,16,17).
What are the key properties of N-(3-hydroxy-3-prop-2-enylhex-5-en-2-yl)-1H-imidazole-2-carboxamide?
N-(3-hydroxy-3-prop-2-enylhex-5-en-2-yl)-1H-imidazole-2-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 1.41, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-3-prop-2-enylhex-5-en-2-yl)-1H-imidazole-2-carboxamide is sourced from PubChem (CID 131898376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).