[(3S,4S)-4-(cyclohexylmethyl)pyrrolidin-3-yl]methanol

C12H23NO — CID 70306574

IUPAC[(3S,4S)-4-(cyclohexylmethyl)pyrrolidin-3-yl]methanol
SMILESOC[C@@H]1CNC[C@H]1CC1CCCCC1
InChIInChI=1S/C12H23NO/c14-9-12-8-13-7-11(12)6-10-4-2-1-3-5-10/h10-14H,1-9H2/t11-,12+/m1/s1
InChIKeyWJFSUHPEZPWOKX-NEPJUHHUSA-N
MW197.32 g/mol
LogP1.78
Rot. Bonds3

About [(3S,4S)-4-(cyclohexylmethyl)pyrrolidin-3-yl]methanol

[(3S,4S)-4-(cyclohexylmethyl)pyrrolidin-3-yl]methanol (PubChem CID 70306574) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is [(3S,4S)-4-(cyclohexylmethyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S,4S)-4-(cyclohexylmethyl)pyrrolidin-3-yl]methanol
PubChem CID70306574
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name[(3S,4S)-4-(cyclohexylmethyl)pyrrolidin-3-yl]methanol
SMILESOC[C@@H]1CNC[C@H]1CC1CCCCC1
InChIInChI=1S/C12H23NO/c14-9-12-8-13-7-11(12)6-10-4-2-1-3-5-10/h10-14H,1-9H2/t11-,12+/m1/s1
InChIKeyWJFSUHPEZPWOKX-NEPJUHHUSA-N
XLogP1.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-4-(cyclohexylmethyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [(3S,4S)-4-(cyclohexylmethyl)pyrrolidin-3-yl]methanol (CID 70306574) is [(3S,4S)-4-(cyclohexylmethyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3S,4S)-4-(cyclohexylmethyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3S,4S)-4-(cyclohexylmethyl)pyrrolidin-3-yl]methanol is OC[C@@H]1CNC[C@H]1CC1CCCCC1.
What is the InChIKey of [(3S,4S)-4-(cyclohexylmethyl)pyrrolidin-3-yl]methanol?
The InChIKey is WJFSUHPEZPWOKX-NEPJUHHUSA-N. The full InChI is InChI=1S/C12H23NO/c14-9-12-8-13-7-11(12)6-10-4-2-1-3-5-10/h10-14H,1-9H2/t11-,12+/m1/s1.
What are the key properties of [(3S,4S)-4-(cyclohexylmethyl)pyrrolidin-3-yl]methanol?
[(3S,4S)-4-(cyclohexylmethyl)pyrrolidin-3-yl]methanol has a molecular weight of 197.32 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-4-(cyclohexylmethyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 70306574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).