2-[(1R)-cyclohex-2-en-1-yl]aniline

C12H15N — CID 88997011

IUPAC2-[(1R)-cyclohex-2-en-1-yl]aniline
SMILESNc1ccccc1[C@H]1C=CCCC1
InChIInChI=1S/C12H15N/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h2,4-6,8-10H,1,3,7,13H2/t10-/m0/s1
InChIKeyQNBHFOTYAOUFFU-JTQLQIEISA-N
MW173.26 g/mol
LogP3.09
Rot. Bonds1

About 2-[(1R)-cyclohex-2-en-1-yl]aniline

2-[(1R)-cyclohex-2-en-1-yl]aniline (PubChem CID 88997011) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-[(1R)-cyclohex-2-en-1-yl]aniline.

Molecular Properties

Compound Name2-[(1R)-cyclohex-2-en-1-yl]aniline
PubChem CID88997011
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name2-[(1R)-cyclohex-2-en-1-yl]aniline
SMILESNc1ccccc1[C@H]1C=CCCC1
InChIInChI=1S/C12H15N/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h2,4-6,8-10H,1,3,7,13H2/t10-/m0/s1
InChIKeyQNBHFOTYAOUFFU-JTQLQIEISA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 2-[(1R)-cyclohex-2-en-1-yl]aniline?
The IUPAC name of 2-[(1R)-cyclohex-2-en-1-yl]aniline (CID 88997011) is 2-[(1R)-cyclohex-2-en-1-yl]aniline.
What is the SMILES notation for 2-[(1R)-cyclohex-2-en-1-yl]aniline?
The canonical SMILES for 2-[(1R)-cyclohex-2-en-1-yl]aniline is Nc1ccccc1[C@H]1C=CCCC1.
What is the InChIKey of 2-[(1R)-cyclohex-2-en-1-yl]aniline?
The InChIKey is QNBHFOTYAOUFFU-JTQLQIEISA-N. The full InChI is InChI=1S/C12H15N/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h2,4-6,8-10H,1,3,7,13H2/t10-/m0/s1.
What are the key properties of 2-[(1R)-cyclohex-2-en-1-yl]aniline?
2-[(1R)-cyclohex-2-en-1-yl]aniline has a molecular weight of 173.26 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-cyclohex-2-en-1-yl]aniline is sourced from PubChem (CID 88997011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).