3-[(1-methylcyclohexyl)methyl]pyrrolidin-2-ol

C12H23NO — CID 139400092

IUPAC3-[(1-methylcyclohexyl)methyl]pyrrolidin-2-ol
SMILESCC1(CC2CCNC2O)CCCCC1
InChIInChI=1S/C12H23NO/c1-12(6-3-2-4-7-12)9-10-5-8-13-11(10)14/h10-11,13-14H,2-9H2,1H3
InChIKeyKRVQBKNMJFVCNY-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.27
Rot. Bonds2

About 3-[(1-methylcyclohexyl)methyl]pyrrolidin-2-ol

3-[(1-methylcyclohexyl)methyl]pyrrolidin-2-ol (PubChem CID 139400092) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 3-[(1-methylcyclohexyl)methyl]pyrrolidin-2-ol.

Molecular Properties

Compound Name3-[(1-methylcyclohexyl)methyl]pyrrolidin-2-ol
PubChem CID139400092
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name3-[(1-methylcyclohexyl)methyl]pyrrolidin-2-ol
SMILESCC1(CC2CCNC2O)CCCCC1
InChIInChI=1S/C12H23NO/c1-12(6-3-2-4-7-12)9-10-5-8-13-11(10)14/h10-11,13-14H,2-9H2,1H3
InChIKeyKRVQBKNMJFVCNY-UHFFFAOYSA-N
XLogP2.27
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylcyclohexyl)methyl]pyrrolidin-2-ol?
The IUPAC name of 3-[(1-methylcyclohexyl)methyl]pyrrolidin-2-ol (CID 139400092) is 3-[(1-methylcyclohexyl)methyl]pyrrolidin-2-ol.
What is the SMILES notation for 3-[(1-methylcyclohexyl)methyl]pyrrolidin-2-ol?
The canonical SMILES for 3-[(1-methylcyclohexyl)methyl]pyrrolidin-2-ol is CC1(CC2CCNC2O)CCCCC1.
What is the InChIKey of 3-[(1-methylcyclohexyl)methyl]pyrrolidin-2-ol?
The InChIKey is KRVQBKNMJFVCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-12(6-3-2-4-7-12)9-10-5-8-13-11(10)14/h10-11,13-14H,2-9H2,1H3.
What are the key properties of 3-[(1-methylcyclohexyl)methyl]pyrrolidin-2-ol?
3-[(1-methylcyclohexyl)methyl]pyrrolidin-2-ol has a molecular weight of 197.32 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylcyclohexyl)methyl]pyrrolidin-2-ol is sourced from PubChem (CID 139400092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).