1-[(Z)-but-1-enyl]-5-ethenylimidazol-4-amine

C9H13N3 — CID 175621603

IUPAC1-[(Z)-but-1-enyl]-5-ethenylimidazol-4-amine
SMILESC=Cc1c(N)ncn1/C=C\CC
InChIInChI=1S/C9H13N3/c1-3-5-6-12-7-11-9(10)8(12)4-2/h4-7H,2-3,10H2,1H3/b6-5-
InChIKeyAQLKLNBRZRUNCS-WAYWQWQTSA-N
MW163.22 g/mol
LogP1.99
Rot. Bonds3

About 1-[(Z)-but-1-enyl]-5-ethenylimidazol-4-amine

1-[(Z)-but-1-enyl]-5-ethenylimidazol-4-amine (PubChem CID 175621603) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 1-[(Z)-but-1-enyl]-5-ethenylimidazol-4-amine.

Molecular Properties

Compound Name1-[(Z)-but-1-enyl]-5-ethenylimidazol-4-amine
PubChem CID175621603
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name1-[(Z)-but-1-enyl]-5-ethenylimidazol-4-amine
SMILESC=Cc1c(N)ncn1/C=C\CC
InChIInChI=1S/C9H13N3/c1-3-5-6-12-7-11-9(10)8(12)4-2/h4-7H,2-3,10H2,1H3/b6-5-
InChIKeyAQLKLNBRZRUNCS-WAYWQWQTSA-N
XLogP1.99
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(Z)-but-1-enyl]-5-methylimidazole
CID 163229239
1-[(Z)-but-1-enyl]-2-ethenyl-4-methylpyrrole;ethane
CID 143047334
1,2-bis[(Z)-but-1-enyl]imidazole
CID 178159096
5-[(1Z)-buta-1,3-dienyl]-1-methylimidazol-4-amine
CID 118249493
4-[(Z)-but-1-enyl]-5-ethenyl-2-methyltriazole
CID 145065427
4-ethenyl-1-ethyl-5-methylimidazole
CID 139378614
4,5-bis(ethenyl)imidazol-1-amine
CID 126486900
5-(4-ethenylphenyl)-4-ethyl-1-methylpyrazol-3-amine
CID 142322198
3-(2-aminoethynyl)-4-ethenyl-5-ethylpyridin-2-amine
CID 142221958
9-ethenylpurin-2-amine
CID 22555835
1-[(E)-but-1-enyl]pyrrole
CID 87862712
4-butan-2-yl-5-ethenyl-3-pentan-3-yl-1-[(Z)-prop-1-enyl]pyrazole
CID 156545038

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-but-1-enyl]-5-ethenylimidazol-4-amine?
The IUPAC name of 1-[(Z)-but-1-enyl]-5-ethenylimidazol-4-amine (CID 175621603) is 1-[(Z)-but-1-enyl]-5-ethenylimidazol-4-amine.
What is the SMILES notation for 1-[(Z)-but-1-enyl]-5-ethenylimidazol-4-amine?
The canonical SMILES for 1-[(Z)-but-1-enyl]-5-ethenylimidazol-4-amine is C=Cc1c(N)ncn1/C=C\CC.
What is the InChIKey of 1-[(Z)-but-1-enyl]-5-ethenylimidazol-4-amine?
The InChIKey is AQLKLNBRZRUNCS-WAYWQWQTSA-N. The full InChI is InChI=1S/C9H13N3/c1-3-5-6-12-7-11-9(10)8(12)4-2/h4-7H,2-3,10H2,1H3/b6-5-.
What are the key properties of 1-[(Z)-but-1-enyl]-5-ethenylimidazol-4-amine?
1-[(Z)-but-1-enyl]-5-ethenylimidazol-4-amine has a molecular weight of 163.22 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-but-1-enyl]-5-ethenylimidazol-4-amine is sourced from PubChem (CID 175621603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).