N-[2-(3-iminobut-1-enyl)-1H-imidazol-5-yl]cyclopropanecarboxamide

C11H14N4O — CID 136654320

IUPACN-[2-(3-iminobut-1-enyl)-1H-imidazol-5-yl]cyclopropanecarboxamide
SMILES[H]/N=C(\C)C=Cc1ncc(NC(=O)C2CC2)[nH]1
InChIInChI=1S/C11H14N4O/c1-7(12)2-5-9-13-6-10(14-9)15-11(16)8-3-4-8/h2,5-6,8,12H,3-4H2,1H3,(H,13,14)(H,15,16)/b5-2?,12-7+
InChIKeyZHDPWZONFKQLLZ-XHJFBZAMSA-N
MW218.26 g/mol
LogP1.81
Rot. Bonds4

About N-[2-(3-iminobut-1-enyl)-1H-imidazol-5-yl]cyclopropanecarboxamide

N-[2-(3-iminobut-1-enyl)-1H-imidazol-5-yl]cyclopropanecarboxamide (PubChem CID 136654320) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is N-[2-(3-iminobut-1-enyl)-1H-imidazol-5-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(3-iminobut-1-enyl)-1H-imidazol-5-yl]cyclopropanecarboxamide
PubChem CID136654320
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC NameN-[2-(3-iminobut-1-enyl)-1H-imidazol-5-yl]cyclopropanecarboxamide
SMILES[H]/N=C(\C)C=Cc1ncc(NC(=O)C2CC2)[nH]1
InChIInChI=1S/C11H14N4O/c1-7(12)2-5-9-13-6-10(14-9)15-11(16)8-3-4-8/h2,5-6,8,12H,3-4H2,1H3,(H,13,14)(H,15,16)/b5-2?,12-7+
InChIKeyZHDPWZONFKQLLZ-XHJFBZAMSA-N
XLogP1.81
TPSA81.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(Z)-3-iminobut-1-enyl]-1H-imidazol-5-yl]cyclopropanecarboxamide
CID 143942705
methyl 5-[(Z)-3-(5-acetamido-1H-imidazol-2-yl)prop-2-enimidoyl]-2-aminopyridine-3-carboxylate
CID 143527919
(Z)-4-[5-(6-chloropyrimidin-4-yl)-1H-imidazol-2-yl]but-3-en-2-imine
CID 139357682
1-[4-[4-[2-[(Z)-3-iminobut-1-enyl]-1H-imidazol-5-yl]-2-pyridinyl]piperazin-1-yl]ethanone
CID 153331068
N-(5-methyl-1,3-thiazol-2-yl)cyclopropanecarboxamide
CID 3432578
N-(cyclopropanecarbonyl)-5-[(Z)-4-imino-5-methylhex-2-en-2-yl]-1H-imidazole-2-carboxamide
CID 145397815
(E)-3-[5-(1-methylpiperidin-4-yl)-1H-imidazol-2-yl]prop-2-enoic acid
CID 116881017
N-(5-chloropyrazin-2-yl)-4-methylcyclohexane-1-carboxamide
CID 107595689
4-acetyl-N-pyridin-4-ylcyclohexane-1-carboxamide
CID 170566312
N-(6-oxo-1H-pyrimidin-2-yl)cyclopropanecarboxamide
CID 123394548
N-(5-ethynyl-1,3-thiazol-2-yl)cyclopropanecarboxamide
CID 144888956
3-[2-(cyclopentanecarbonylamino)-1,3-thiazol-5-yl]prop-2-enoic acid
CID 54971231

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-iminobut-1-enyl)-1H-imidazol-5-yl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(3-iminobut-1-enyl)-1H-imidazol-5-yl]cyclopropanecarboxamide (CID 136654320) is N-[2-(3-iminobut-1-enyl)-1H-imidazol-5-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(3-iminobut-1-enyl)-1H-imidazol-5-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(3-iminobut-1-enyl)-1H-imidazol-5-yl]cyclopropanecarboxamide is [H]/N=C(\C)C=Cc1ncc(NC(=O)C2CC2)[nH]1.
What is the InChIKey of N-[2-(3-iminobut-1-enyl)-1H-imidazol-5-yl]cyclopropanecarboxamide?
The InChIKey is ZHDPWZONFKQLLZ-XHJFBZAMSA-N. The full InChI is InChI=1S/C11H14N4O/c1-7(12)2-5-9-13-6-10(14-9)15-11(16)8-3-4-8/h2,5-6,8,12H,3-4H2,1H3,(H,13,14)(H,15,16)/b5-2?,12-7+.
What are the key properties of N-[2-(3-iminobut-1-enyl)-1H-imidazol-5-yl]cyclopropanecarboxamide?
N-[2-(3-iminobut-1-enyl)-1H-imidazol-5-yl]cyclopropanecarboxamide has a molecular weight of 218.26 g/mol, XLogP of 1.81, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-iminobut-1-enyl)-1H-imidazol-5-yl]cyclopropanecarboxamide is sourced from PubChem (CID 136654320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).