(E)-3-(1H-imidazol-5-yl)prop-2-en-1-amine

C6H9N3 — CID 6438855

IUPAC(E)-3-(1H-imidazol-5-yl)prop-2-en-1-amine
SMILESNC/C=C/c1cnc[nH]1
InChIInChI=1S/C6H9N3/c7-3-1-2-6-4-8-5-9-6/h1-2,4-5H,3,7H2,(H,8,9)/b2-1+
InChIKeyCGEIRZFOBXDGLI-OWOJBTEDSA-N
MW123.16 g/mol
LogP0.38
Rot. Bonds2

About (E)-3-(1H-imidazol-5-yl)prop-2-en-1-amine

(E)-3-(1H-imidazol-5-yl)prop-2-en-1-amine (PubChem CID 6438855) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is (E)-3-(1H-imidazol-5-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(1H-imidazol-5-yl)prop-2-en-1-amine
PubChem CID6438855
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC Name(E)-3-(1H-imidazol-5-yl)prop-2-en-1-amine
SMILESNC/C=C/c1cnc[nH]1
InChIInChI=1S/C6H9N3/c7-3-1-2-6-4-8-5-9-6/h1-2,4-5H,3,7H2,(H,8,9)/b2-1+
InChIKeyCGEIRZFOBXDGLI-OWOJBTEDSA-N
XLogP0.38
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(1H-imidazol-5-yl)prop-2-en-1-amine?
The IUPAC name of (E)-3-(1H-imidazol-5-yl)prop-2-en-1-amine (CID 6438855) is (E)-3-(1H-imidazol-5-yl)prop-2-en-1-amine.
What is the SMILES notation for (E)-3-(1H-imidazol-5-yl)prop-2-en-1-amine?
The canonical SMILES for (E)-3-(1H-imidazol-5-yl)prop-2-en-1-amine is NC/C=C/c1cnc[nH]1.
What is the InChIKey of (E)-3-(1H-imidazol-5-yl)prop-2-en-1-amine?
The InChIKey is CGEIRZFOBXDGLI-OWOJBTEDSA-N. The full InChI is InChI=1S/C6H9N3/c7-3-1-2-6-4-8-5-9-6/h1-2,4-5H,3,7H2,(H,8,9)/b2-1+.
What are the key properties of (E)-3-(1H-imidazol-5-yl)prop-2-en-1-amine?
(E)-3-(1H-imidazol-5-yl)prop-2-en-1-amine has a molecular weight of 123.16 g/mol, XLogP of 0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1H-imidazol-5-yl)prop-2-en-1-amine is sourced from PubChem (CID 6438855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).