2-(3-methylcyclopenten-1-yl)aniline

C12H15N — CID 19754745

IUPAC2-(3-methylcyclopenten-1-yl)aniline
SMILESCC1C=C(c2ccccc2N)CC1
InChIInChI=1S/C12H15N/c1-9-6-7-10(8-9)11-4-2-3-5-12(11)13/h2-5,8-9H,6-7,13H2,1H3
InChIKeyZWNUBJPBLSYDDY-UHFFFAOYSA-N
MW173.26 g/mol
LogP3.08
Rot. Bonds1

About 2-(3-methylcyclopenten-1-yl)aniline

2-(3-methylcyclopenten-1-yl)aniline (PubChem CID 19754745) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-(3-methylcyclopenten-1-yl)aniline.

Molecular Properties

Compound Name2-(3-methylcyclopenten-1-yl)aniline
PubChem CID19754745
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name2-(3-methylcyclopenten-1-yl)aniline
SMILESCC1C=C(c2ccccc2N)CC1
InChIInChI=1S/C12H15N/c1-9-6-7-10(8-9)11-4-2-3-5-12(11)13/h2-5,8-9H,6-7,13H2,1H3
InChIKeyZWNUBJPBLSYDDY-UHFFFAOYSA-N
XLogP3.08
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylcyclopenten-1-yl)aniline?
The IUPAC name of 2-(3-methylcyclopenten-1-yl)aniline (CID 19754745) is 2-(3-methylcyclopenten-1-yl)aniline.
What is the SMILES notation for 2-(3-methylcyclopenten-1-yl)aniline?
The canonical SMILES for 2-(3-methylcyclopenten-1-yl)aniline is CC1C=C(c2ccccc2N)CC1.
What is the InChIKey of 2-(3-methylcyclopenten-1-yl)aniline?
The InChIKey is ZWNUBJPBLSYDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-9-6-7-10(8-9)11-4-2-3-5-12(11)13/h2-5,8-9H,6-7,13H2,1H3.
What are the key properties of 2-(3-methylcyclopenten-1-yl)aniline?
2-(3-methylcyclopenten-1-yl)aniline has a molecular weight of 173.26 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylcyclopenten-1-yl)aniline is sourced from PubChem (CID 19754745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).