3-(cyclopenten-1-yl)-2-methylaniline

C12H15N — CID 130534955

IUPAC3-(cyclopenten-1-yl)-2-methylaniline
SMILESCc1c(N)cccc1C1=CCCC1
InChIInChI=1S/C12H15N/c1-9-11(7-4-8-12(9)13)10-5-2-3-6-10/h4-5,7-8H,2-3,6,13H2,1H3
InChIKeyDBZWMOABBQYUAO-UHFFFAOYSA-N
MW173.26 g/mol
LogP3.14
Rot. Bonds1

About 3-(cyclopenten-1-yl)-2-methylaniline

3-(cyclopenten-1-yl)-2-methylaniline (PubChem CID 130534955) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 3-(cyclopenten-1-yl)-2-methylaniline.

Molecular Properties

Compound Name3-(cyclopenten-1-yl)-2-methylaniline
PubChem CID130534955
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name3-(cyclopenten-1-yl)-2-methylaniline
SMILESCc1c(N)cccc1C1=CCCC1
InChIInChI=1S/C12H15N/c1-9-11(7-4-8-12(9)13)10-5-2-3-6-10/h4-5,7-8H,2-3,6,13H2,1H3
InChIKeyDBZWMOABBQYUAO-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
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 3-(cyclopenten-1-yl)-2-methylaniline?
The IUPAC name of 3-(cyclopenten-1-yl)-2-methylaniline (CID 130534955) is 3-(cyclopenten-1-yl)-2-methylaniline.
What is the SMILES notation for 3-(cyclopenten-1-yl)-2-methylaniline?
The canonical SMILES for 3-(cyclopenten-1-yl)-2-methylaniline is Cc1c(N)cccc1C1=CCCC1.
What is the InChIKey of 3-(cyclopenten-1-yl)-2-methylaniline?
The InChIKey is DBZWMOABBQYUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-9-11(7-4-8-12(9)13)10-5-2-3-6-10/h4-5,7-8H,2-3,6,13H2,1H3.
What are the key properties of 3-(cyclopenten-1-yl)-2-methylaniline?
3-(cyclopenten-1-yl)-2-methylaniline has a molecular weight of 173.26 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopenten-1-yl)-2-methylaniline is sourced from PubChem (CID 130534955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).