4-cyclopent-2-en-1-ylbenzene-1,3-diamine

C11H14N2 — CID 15664016

IUPAC4-cyclopent-2-en-1-ylbenzene-1,3-diamine
SMILESNc1ccc(C2C=CCC2)c(N)c1
InChIInChI=1S/C11H14N2/c12-9-5-6-10(11(13)7-9)8-3-1-2-4-8/h1,3,5-8H,2,4,12-13H2
InChIKeyUUYYVXWMCXCUDJ-UHFFFAOYSA-N
MW174.25 g/mol
LogP2.28
Rot. Bonds1

About 4-cyclopent-2-en-1-ylbenzene-1,3-diamine

4-cyclopent-2-en-1-ylbenzene-1,3-diamine (PubChem CID 15664016) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 4-cyclopent-2-en-1-ylbenzene-1,3-diamine.

Molecular Properties

Compound Name4-cyclopent-2-en-1-ylbenzene-1,3-diamine
PubChem CID15664016
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name4-cyclopent-2-en-1-ylbenzene-1,3-diamine
SMILESNc1ccc(C2C=CCC2)c(N)c1
InChIInChI=1S/C11H14N2/c12-9-5-6-10(11(13)7-9)8-3-1-2-4-8/h1,3,5-8H,2,4,12-13H2
InChIKeyUUYYVXWMCXCUDJ-UHFFFAOYSA-N
XLogP2.28
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopent-2-en-1-ylbenzene-1,3-diamine?
The IUPAC name of 4-cyclopent-2-en-1-ylbenzene-1,3-diamine (CID 15664016) is 4-cyclopent-2-en-1-ylbenzene-1,3-diamine.
What is the SMILES notation for 4-cyclopent-2-en-1-ylbenzene-1,3-diamine?
The canonical SMILES for 4-cyclopent-2-en-1-ylbenzene-1,3-diamine is Nc1ccc(C2C=CCC2)c(N)c1.
What is the InChIKey of 4-cyclopent-2-en-1-ylbenzene-1,3-diamine?
The InChIKey is UUYYVXWMCXCUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c12-9-5-6-10(11(13)7-9)8-3-1-2-4-8/h1,3,5-8H,2,4,12-13H2.
What are the key properties of 4-cyclopent-2-en-1-ylbenzene-1,3-diamine?
4-cyclopent-2-en-1-ylbenzene-1,3-diamine has a molecular weight of 174.25 g/mol, XLogP of 2.28, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopent-2-en-1-ylbenzene-1,3-diamine is sourced from PubChem (CID 15664016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).