(3-prop-2-enylimidazol-4-yl)methanamine

C7H11N3 — CID 114703830

IUPAC(3-prop-2-enylimidazol-4-yl)methanamine
SMILESC=CCn1cncc1CN
InChIInChI=1S/C7H11N3/c1-2-3-10-6-9-5-7(10)4-8/h2,5-6H,1,3-4,8H2
InChIKeyXGYOKIFZIQBZSH-UHFFFAOYSA-N
MW137.19 g/mol
LogP0.53
Rot. Bonds3

About (3-prop-2-enylimidazol-4-yl)methanamine

(3-prop-2-enylimidazol-4-yl)methanamine (PubChem CID 114703830) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is (3-prop-2-enylimidazol-4-yl)methanamine.

Molecular Properties

Compound Name(3-prop-2-enylimidazol-4-yl)methanamine
PubChem CID114703830
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name(3-prop-2-enylimidazol-4-yl)methanamine
SMILESC=CCn1cncc1CN
InChIInChI=1S/C7H11N3/c1-2-3-10-6-9-5-7(10)4-8/h2,5-6H,1,3-4,8H2
InChIKeyXGYOKIFZIQBZSH-UHFFFAOYSA-N
XLogP0.53
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-prop-2-enylimidazol-4-yl)methanamine?
The IUPAC name of (3-prop-2-enylimidazol-4-yl)methanamine (CID 114703830) is (3-prop-2-enylimidazol-4-yl)methanamine.
What is the SMILES notation for (3-prop-2-enylimidazol-4-yl)methanamine?
The canonical SMILES for (3-prop-2-enylimidazol-4-yl)methanamine is C=CCn1cncc1CN.
What is the InChIKey of (3-prop-2-enylimidazol-4-yl)methanamine?
The InChIKey is XGYOKIFZIQBZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3/c1-2-3-10-6-9-5-7(10)4-8/h2,5-6H,1,3-4,8H2.
What are the key properties of (3-prop-2-enylimidazol-4-yl)methanamine?
(3-prop-2-enylimidazol-4-yl)methanamine has a molecular weight of 137.19 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-prop-2-enylimidazol-4-yl)methanamine is sourced from PubChem (CID 114703830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).