[(1R,4S)-4-(cyclohexylamino)cyclopent-2-en-1-yl]methanol

C12H21NO — CID 103778311

IUPAC[(1R,4S)-4-(cyclohexylamino)cyclopent-2-en-1-yl]methanol
SMILESOC[C@H]1C=C[C@@H](NC2CCCCC2)C1
InChIInChI=1S/C12H21NO/c14-9-10-6-7-12(8-10)13-11-4-2-1-3-5-11/h6-7,10-14H,1-5,8-9H2/t10-,12+/m0/s1
InChIKeyJKHFNBZDFWPDRE-CMPLNLGQSA-N
MW195.31 g/mol
LogP1.85
Rot. Bonds3

About [(1R,4S)-4-(cyclohexylamino)cyclopent-2-en-1-yl]methanol

[(1R,4S)-4-(cyclohexylamino)cyclopent-2-en-1-yl]methanol (PubChem CID 103778311) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is [(1R,4S)-4-(cyclohexylamino)cyclopent-2-en-1-yl]methanol.

Molecular Properties

Compound Name[(1R,4S)-4-(cyclohexylamino)cyclopent-2-en-1-yl]methanol
PubChem CID103778311
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name[(1R,4S)-4-(cyclohexylamino)cyclopent-2-en-1-yl]methanol
SMILESOC[C@H]1C=C[C@@H](NC2CCCCC2)C1
InChIInChI=1S/C12H21NO/c14-9-10-6-7-12(8-10)13-11-4-2-1-3-5-11/h6-7,10-14H,1-5,8-9H2/t10-,12+/m0/s1
InChIKeyJKHFNBZDFWPDRE-CMPLNLGQSA-N
XLogP1.85
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1R,4S)-4-(cyclohexylamino)cyclopent-2-en-1-yl]methanol?
The IUPAC name of [(1R,4S)-4-(cyclohexylamino)cyclopent-2-en-1-yl]methanol (CID 103778311) is [(1R,4S)-4-(cyclohexylamino)cyclopent-2-en-1-yl]methanol.
What is the SMILES notation for [(1R,4S)-4-(cyclohexylamino)cyclopent-2-en-1-yl]methanol?
The canonical SMILES for [(1R,4S)-4-(cyclohexylamino)cyclopent-2-en-1-yl]methanol is OC[C@H]1C=C[C@@H](NC2CCCCC2)C1.
What is the InChIKey of [(1R,4S)-4-(cyclohexylamino)cyclopent-2-en-1-yl]methanol?
The InChIKey is JKHFNBZDFWPDRE-CMPLNLGQSA-N. The full InChI is InChI=1S/C12H21NO/c14-9-10-6-7-12(8-10)13-11-4-2-1-3-5-11/h6-7,10-14H,1-5,8-9H2/t10-,12+/m0/s1.
What are the key properties of [(1R,4S)-4-(cyclohexylamino)cyclopent-2-en-1-yl]methanol?
[(1R,4S)-4-(cyclohexylamino)cyclopent-2-en-1-yl]methanol has a molecular weight of 195.31 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4S)-4-(cyclohexylamino)cyclopent-2-en-1-yl]methanol is sourced from PubChem (CID 103778311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).