[4-ethenyl-5-[(Z)-prop-1-enyl]-1H-imidazol-2-yl]methanamine

C9H13N3 — CID 142260701

IUPAC[4-ethenyl-5-[(Z)-prop-1-enyl]-1H-imidazol-2-yl]methanamine
SMILESC=Cc1nc(CN)[nH]c1/C=C\C
InChIInChI=1S/C9H13N3/c1-3-5-8-7(4-2)11-9(6-10)12-8/h3-5H,2,6,10H2,1H3,(H,11,12)/b5-3-
InChIKeyMVTJVMXTQPTXOY-HYXAFXHYSA-N
MW163.22 g/mol
LogP1.54
Rot. Bonds3

About [4-ethenyl-5-[(Z)-prop-1-enyl]-1H-imidazol-2-yl]methanamine

[4-ethenyl-5-[(Z)-prop-1-enyl]-1H-imidazol-2-yl]methanamine (PubChem CID 142260701) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is [4-ethenyl-5-[(Z)-prop-1-enyl]-1H-imidazol-2-yl]methanamine.

Molecular Properties

Compound Name[4-ethenyl-5-[(Z)-prop-1-enyl]-1H-imidazol-2-yl]methanamine
PubChem CID142260701
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name[4-ethenyl-5-[(Z)-prop-1-enyl]-1H-imidazol-2-yl]methanamine
SMILESC=Cc1nc(CN)[nH]c1/C=C\C
InChIInChI=1S/C9H13N3/c1-3-5-8-7(4-2)11-9(6-10)12-8/h3-5H,2,6,10H2,1H3,(H,11,12)/b5-3-
InChIKeyMVTJVMXTQPTXOY-HYXAFXHYSA-N
XLogP1.54
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-ethenyl-5-[(Z)-prop-1-enyl]-1H-imidazol-2-yl]methanamine?
The IUPAC name of [4-ethenyl-5-[(Z)-prop-1-enyl]-1H-imidazol-2-yl]methanamine (CID 142260701) is [4-ethenyl-5-[(Z)-prop-1-enyl]-1H-imidazol-2-yl]methanamine.
What is the SMILES notation for [4-ethenyl-5-[(Z)-prop-1-enyl]-1H-imidazol-2-yl]methanamine?
The canonical SMILES for [4-ethenyl-5-[(Z)-prop-1-enyl]-1H-imidazol-2-yl]methanamine is C=Cc1nc(CN)[nH]c1/C=C\C.
What is the InChIKey of [4-ethenyl-5-[(Z)-prop-1-enyl]-1H-imidazol-2-yl]methanamine?
The InChIKey is MVTJVMXTQPTXOY-HYXAFXHYSA-N. The full InChI is InChI=1S/C9H13N3/c1-3-5-8-7(4-2)11-9(6-10)12-8/h3-5H,2,6,10H2,1H3,(H,11,12)/b5-3-.
What are the key properties of [4-ethenyl-5-[(Z)-prop-1-enyl]-1H-imidazol-2-yl]methanamine?
[4-ethenyl-5-[(Z)-prop-1-enyl]-1H-imidazol-2-yl]methanamine has a molecular weight of 163.22 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethenyl-5-[(Z)-prop-1-enyl]-1H-imidazol-2-yl]methanamine is sourced from PubChem (CID 142260701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).