3-[(1R)-cyclopent-2-en-1-yl]benzene-1,2-diamine

C11H14N2 — CID 97303671

IUPAC3-[(1R)-cyclopent-2-en-1-yl]benzene-1,2-diamine
SMILESNc1cccc([C@H]2C=CCC2)c1N
InChIInChI=1S/C11H14N2/c12-10-7-3-6-9(11(10)13)8-4-1-2-5-8/h1,3-4,6-8H,2,5,12-13H2/t8-/m0/s1
InChIKeyOOJXOIZLGHKGLP-QMMMGPOBSA-N
MW174.25 g/mol
LogP2.28
Rot. Bonds1

About 3-[(1R)-cyclopent-2-en-1-yl]benzene-1,2-diamine

3-[(1R)-cyclopent-2-en-1-yl]benzene-1,2-diamine (PubChem CID 97303671) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 3-[(1R)-cyclopent-2-en-1-yl]benzene-1,2-diamine.

Molecular Properties

Compound Name3-[(1R)-cyclopent-2-en-1-yl]benzene-1,2-diamine
PubChem CID97303671
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name3-[(1R)-cyclopent-2-en-1-yl]benzene-1,2-diamine
SMILESNc1cccc([C@H]2C=CCC2)c1N
InChIInChI=1S/C11H14N2/c12-10-7-3-6-9(11(10)13)8-4-1-2-5-8/h1,3-4,6-8H,2,5,12-13H2/t8-/m0/s1
InChIKeyOOJXOIZLGHKGLP-QMMMGPOBSA-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 3-[(1R)-cyclopent-2-en-1-yl]benzene-1,2-diamine?
The IUPAC name of 3-[(1R)-cyclopent-2-en-1-yl]benzene-1,2-diamine (CID 97303671) is 3-[(1R)-cyclopent-2-en-1-yl]benzene-1,2-diamine.
What is the SMILES notation for 3-[(1R)-cyclopent-2-en-1-yl]benzene-1,2-diamine?
The canonical SMILES for 3-[(1R)-cyclopent-2-en-1-yl]benzene-1,2-diamine is Nc1cccc([C@H]2C=CCC2)c1N.
What is the InChIKey of 3-[(1R)-cyclopent-2-en-1-yl]benzene-1,2-diamine?
The InChIKey is OOJXOIZLGHKGLP-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H14N2/c12-10-7-3-6-9(11(10)13)8-4-1-2-5-8/h1,3-4,6-8H,2,5,12-13H2/t8-/m0/s1.
What are the key properties of 3-[(1R)-cyclopent-2-en-1-yl]benzene-1,2-diamine?
3-[(1R)-cyclopent-2-en-1-yl]benzene-1,2-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 3-[(1R)-cyclopent-2-en-1-yl]benzene-1,2-diamine is sourced from PubChem (CID 97303671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).