1-(1-cyclohexa-1,5-dien-1-ylpropan-2-yl)pyrrolidin-3-ol

C13H21NO — CID 175415278

IUPAC1-(1-cyclohexa-1,5-dien-1-ylpropan-2-yl)pyrrolidin-3-ol
SMILESCC(CC1=CCCC=C1)N1CCC(O)C1
InChIInChI=1S/C13H21NO/c1-11(14-8-7-13(15)10-14)9-12-5-3-2-4-6-12/h3,5-6,11,13,15H,2,4,7-10H2,1H3
InChIKeyFKMLNPCCYHUWPV-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.11
Rot. Bonds3

About 1-(1-cyclohexa-1,5-dien-1-ylpropan-2-yl)pyrrolidin-3-ol

1-(1-cyclohexa-1,5-dien-1-ylpropan-2-yl)pyrrolidin-3-ol (PubChem CID 175415278) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(1-cyclohexa-1,5-dien-1-ylpropan-2-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(1-cyclohexa-1,5-dien-1-ylpropan-2-yl)pyrrolidin-3-ol
PubChem CID175415278
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-(1-cyclohexa-1,5-dien-1-ylpropan-2-yl)pyrrolidin-3-ol
SMILESCC(CC1=CCCC=C1)N1CCC(O)C1
InChIInChI=1S/C13H21NO/c1-11(14-8-7-13(15)10-14)9-12-5-3-2-4-6-12/h3,5-6,11,13,15H,2,4,7-10H2,1H3
InChIKeyFKMLNPCCYHUWPV-UHFFFAOYSA-N
XLogP2.11
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(1-cyclohexa-1,5-dien-1-ylpropan-2-yl)pyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexa-1,5-dien-1-ylpropan-2-yl)pyrrolidin-3-ol?
The IUPAC name of 1-(1-cyclohexa-1,5-dien-1-ylpropan-2-yl)pyrrolidin-3-ol (CID 175415278) is 1-(1-cyclohexa-1,5-dien-1-ylpropan-2-yl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(1-cyclohexa-1,5-dien-1-ylpropan-2-yl)pyrrolidin-3-ol?
The canonical SMILES for 1-(1-cyclohexa-1,5-dien-1-ylpropan-2-yl)pyrrolidin-3-ol is CC(CC1=CCCC=C1)N1CCC(O)C1.
What is the InChIKey of 1-(1-cyclohexa-1,5-dien-1-ylpropan-2-yl)pyrrolidin-3-ol?
The InChIKey is FKMLNPCCYHUWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-11(14-8-7-13(15)10-14)9-12-5-3-2-4-6-12/h3,5-6,11,13,15H,2,4,7-10H2,1H3.
What are the key properties of 1-(1-cyclohexa-1,5-dien-1-ylpropan-2-yl)pyrrolidin-3-ol?
1-(1-cyclohexa-1,5-dien-1-ylpropan-2-yl)pyrrolidin-3-ol has a molecular weight of 207.32 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexa-1,5-dien-1-ylpropan-2-yl)pyrrolidin-3-ol is sourced from PubChem (CID 175415278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).