1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-3-methylimidazol-2-imine

C11H15N3 — CID 146531827

IUPAC1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-3-methylimidazol-2-imine
SMILES[H]/N=c1\n(C)ccn1C(=C)/C=C\C=C/C
InChIInChI=1S/C11H15N3/c1-4-5-6-7-10(2)14-9-8-13(3)11(14)12/h4-9,12H,2H2,1,3H3/b5-4-,7-6-,12-11+
InChIKeyJWYHXQKKAZYYDE-QDFXUOAUSA-N
MW189.26 g/mol
LogP1.91
Rot. Bonds3

About 1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-3-methylimidazol-2-imine

1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-3-methylimidazol-2-imine (PubChem CID 146531827) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-3-methylimidazol-2-imine.

Molecular Properties

Compound Name1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-3-methylimidazol-2-imine
PubChem CID146531827
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-3-methylimidazol-2-imine
SMILES[H]/N=c1\n(C)ccn1C(=C)/C=C\C=C/C
InChIInChI=1S/C11H15N3/c1-4-5-6-7-10(2)14-9-8-13(3)11(14)12/h4-9,12H,2H2,1,3H3/b5-4-,7-6-,12-11+
InChIKeyJWYHXQKKAZYYDE-QDFXUOAUSA-N
XLogP1.91
TPSA33.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.91
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 1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-3-methylimidazol-2-imine?
The IUPAC name of 1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-3-methylimidazol-2-imine (CID 146531827) is 1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-3-methylimidazol-2-imine.
What is the SMILES notation for 1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-3-methylimidazol-2-imine?
The canonical SMILES for 1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-3-methylimidazol-2-imine is [H]/N=c1\n(C)ccn1C(=C)/C=C\C=C/C.
What is the InChIKey of 1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-3-methylimidazol-2-imine?
The InChIKey is JWYHXQKKAZYYDE-QDFXUOAUSA-N. The full InChI is InChI=1S/C11H15N3/c1-4-5-6-7-10(2)14-9-8-13(3)11(14)12/h4-9,12H,2H2,1,3H3/b5-4-,7-6-,12-11+.
What are the key properties of 1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-3-methylimidazol-2-imine?
1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-3-methylimidazol-2-imine has a molecular weight of 189.26 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-3-methylimidazol-2-imine is sourced from PubChem (CID 146531827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).