4-prop-1-en-2-ylcyclohepta[d]imidazol-2-amine

C11H11N3 — CID 14948670

IUPAC4-prop-1-en-2-ylcyclohepta[d]imidazol-2-amine
SMILESC=C(C)c1ccccc2nc(N)nc1-2
InChIInChI=1S/C11H11N3/c1-7(2)8-5-3-4-6-9-10(8)14-11(12)13-9/h3-6H,1H2,2H3,(H2,12,13,14)
InChIKeyHPVYJLVKTVWLOF-UHFFFAOYSA-N
MW185.23 g/mol
LogP2.20
Rot. Bonds1

About 4-prop-1-en-2-ylcyclohepta[d]imidazol-2-amine

4-prop-1-en-2-ylcyclohepta[d]imidazol-2-amine (PubChem CID 14948670) has the molecular formula C11H11N3 and a molecular weight of 185.23 g/mol. Its IUPAC name is 4-prop-1-en-2-ylcyclohepta[d]imidazol-2-amine.

Molecular Properties

Compound Name4-prop-1-en-2-ylcyclohepta[d]imidazol-2-amine
PubChem CID14948670
Molecular FormulaC11H11N3
Molecular Weight185.23 g/mol
Exact Mass185.10
IUPAC Name4-prop-1-en-2-ylcyclohepta[d]imidazol-2-amine
SMILESC=C(C)c1ccccc2nc(N)nc1-2
InChIInChI=1S/C11H11N3/c1-7(2)8-5-3-4-6-9-10(8)14-11(12)13-9/h3-6H,1H2,2H3,(H2,12,13,14)
InChIKeyHPVYJLVKTVWLOF-UHFFFAOYSA-N
XLogP2.20
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-prop-1-en-2-ylcyclohepta[d]imidazol-2-amine?
The IUPAC name of 4-prop-1-en-2-ylcyclohepta[d]imidazol-2-amine (CID 14948670) is 4-prop-1-en-2-ylcyclohepta[d]imidazol-2-amine.
What is the SMILES notation for 4-prop-1-en-2-ylcyclohepta[d]imidazol-2-amine?
The canonical SMILES for 4-prop-1-en-2-ylcyclohepta[d]imidazol-2-amine is C=C(C)c1ccccc2nc(N)nc1-2.
What is the InChIKey of 4-prop-1-en-2-ylcyclohepta[d]imidazol-2-amine?
The InChIKey is HPVYJLVKTVWLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3/c1-7(2)8-5-3-4-6-9-10(8)14-11(12)13-9/h3-6H,1H2,2H3,(H2,12,13,14).
What are the key properties of 4-prop-1-en-2-ylcyclohepta[d]imidazol-2-amine?
4-prop-1-en-2-ylcyclohepta[d]imidazol-2-amine has a molecular weight of 185.23 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-1-en-2-ylcyclohepta[d]imidazol-2-amine is sourced from PubChem (CID 14948670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).