(3E)-3-[(2-methylimidazol-1-yl)methylidene]pent-4-en-2-amine

C10H15N3 — CID 146664104

IUPAC(3E)-3-[(2-methylimidazol-1-yl)methylidene]pent-4-en-2-amine
SMILESC=C/C(=C\n1ccnc1C)C(C)N
InChIInChI=1S/C10H15N3/c1-4-10(8(2)11)7-13-6-5-12-9(13)3/h4-8H,1,11H2,2-3H3/b10-7+
InChIKeyVLHKNGILFBYTMJ-JXMROGBWSA-N
MW177.25 g/mol
LogP1.57
Rot. Bonds3

About (3E)-3-[(2-methylimidazol-1-yl)methylidene]pent-4-en-2-amine

(3E)-3-[(2-methylimidazol-1-yl)methylidene]pent-4-en-2-amine (PubChem CID 146664104) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is (3E)-3-[(2-methylimidazol-1-yl)methylidene]pent-4-en-2-amine.

Molecular Properties

Compound Name(3E)-3-[(2-methylimidazol-1-yl)methylidene]pent-4-en-2-amine
PubChem CID146664104
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name(3E)-3-[(2-methylimidazol-1-yl)methylidene]pent-4-en-2-amine
SMILESC=C/C(=C\n1ccnc1C)C(C)N
InChIInChI=1S/C10H15N3/c1-4-10(8(2)11)7-13-6-5-12-9(13)3/h4-8H,1,11H2,2-3H3/b10-7+
InChIKeyVLHKNGILFBYTMJ-JXMROGBWSA-N
XLogP1.57
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(2-methylimidazol-1-yl)methylidene]pent-4-en-2-amine?
The IUPAC name of (3E)-3-[(2-methylimidazol-1-yl)methylidene]pent-4-en-2-amine (CID 146664104) is (3E)-3-[(2-methylimidazol-1-yl)methylidene]pent-4-en-2-amine.
What is the SMILES notation for (3E)-3-[(2-methylimidazol-1-yl)methylidene]pent-4-en-2-amine?
The canonical SMILES for (3E)-3-[(2-methylimidazol-1-yl)methylidene]pent-4-en-2-amine is C=C/C(=C\n1ccnc1C)C(C)N.
What is the InChIKey of (3E)-3-[(2-methylimidazol-1-yl)methylidene]pent-4-en-2-amine?
The InChIKey is VLHKNGILFBYTMJ-JXMROGBWSA-N. The full InChI is InChI=1S/C10H15N3/c1-4-10(8(2)11)7-13-6-5-12-9(13)3/h4-8H,1,11H2,2-3H3/b10-7+.
What are the key properties of (3E)-3-[(2-methylimidazol-1-yl)methylidene]pent-4-en-2-amine?
(3E)-3-[(2-methylimidazol-1-yl)methylidene]pent-4-en-2-amine has a molecular weight of 177.25 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(2-methylimidazol-1-yl)methylidene]pent-4-en-2-amine is sourced from PubChem (CID 146664104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).