N-(1H-imidazol-5-ylmethyl)-2-methylpent-2-enamide

C10H15N3O — CID 77075633

IUPACN-(1H-imidazol-5-ylmethyl)-2-methylpent-2-enamide
SMILESCCC=C(C)C(=O)NCc1cnc[nH]1
InChIInChI=1S/C10H15N3O/c1-3-4-8(2)10(14)12-6-9-5-11-7-13-9/h4-5,7H,3,6H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyVCVPYVKYEWLERY-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.38
Rot. Bonds4

About N-(1H-imidazol-5-ylmethyl)-2-methylpent-2-enamide

N-(1H-imidazol-5-ylmethyl)-2-methylpent-2-enamide (PubChem CID 77075633) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is N-(1H-imidazol-5-ylmethyl)-2-methylpent-2-enamide.

Molecular Properties

Compound NameN-(1H-imidazol-5-ylmethyl)-2-methylpent-2-enamide
PubChem CID77075633
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC NameN-(1H-imidazol-5-ylmethyl)-2-methylpent-2-enamide
SMILESCCC=C(C)C(=O)NCc1cnc[nH]1
InChIInChI=1S/C10H15N3O/c1-3-4-8(2)10(14)12-6-9-5-11-7-13-9/h4-5,7H,3,6H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyVCVPYVKYEWLERY-UHFFFAOYSA-N
XLogP1.38
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-(1H-pyrazol-5-ylmethyl)pent-2-enamide
CID 61284125
2-(azetidin-3-ylidene)-N-(1H-imidazol-5-ylmethyl)propanamide
CID 116678252
N-(1H-imidazol-5-ylmethyl)but-2-enamide
CID 77075616
1,1-diethyl-3-(1H-imidazol-5-ylmethyl)urea
CID 79161079
3-(1H-imidazol-5-ylmethylamino)-2,2-dimethyl-3-oxopropanoic acid
CID 82821309
N-(1H-imidazol-5-ylmethyl)pyrimidine-5-carboxamide
CID 104628648
(2R)-2-amino-N-(1H-imidazol-5-ylmethyl)-3-methylbutanamide
CID 79014032
N-[2-(1H-imidazol-5-yl)ethyl]-2-methylprop-2-enamide
CID 54544800
N-(1H-imidazol-5-ylmethyl)-2,6-dimethylbenzamide
CID 113258424
ethyl 2-(1H-imidazol-5-ylmethylamino)propanoate
CID 62761601
N-(1H-imidazol-5-ylmethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80623437
1-(1H-imidazol-5-yl)-N-methylmethanamine
CID 20675588

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-5-ylmethyl)-2-methylpent-2-enamide?
The IUPAC name of N-(1H-imidazol-5-ylmethyl)-2-methylpent-2-enamide (CID 77075633) is N-(1H-imidazol-5-ylmethyl)-2-methylpent-2-enamide.
What is the SMILES notation for N-(1H-imidazol-5-ylmethyl)-2-methylpent-2-enamide?
The canonical SMILES for N-(1H-imidazol-5-ylmethyl)-2-methylpent-2-enamide is CCC=C(C)C(=O)NCc1cnc[nH]1.
What is the InChIKey of N-(1H-imidazol-5-ylmethyl)-2-methylpent-2-enamide?
The InChIKey is VCVPYVKYEWLERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-3-4-8(2)10(14)12-6-9-5-11-7-13-9/h4-5,7H,3,6H2,1-2H3,(H,11,13)(H,12,14).
What are the key properties of N-(1H-imidazol-5-ylmethyl)-2-methylpent-2-enamide?
N-(1H-imidazol-5-ylmethyl)-2-methylpent-2-enamide has a molecular weight of 193.25 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-5-ylmethyl)-2-methylpent-2-enamide is sourced from PubChem (CID 77075633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).