(3R)-1-(2-cyclohexa-2,4-dien-1-ylethyl)pyrrolidin-3-ol

C12H19NO — CID 175890314

IUPAC(3R)-1-(2-cyclohexa-2,4-dien-1-ylethyl)pyrrolidin-3-ol
SMILESO[C@@H]1CCN(CCC2C=CC=CC2)C1
InChIInChI=1S/C12H19NO/c14-12-7-9-13(10-12)8-6-11-4-2-1-3-5-11/h1-4,11-12,14H,5-10H2/t11?,12-/m1/s1
InChIKeyWQVCNYBIQJOTNQ-PIJUOVFKSA-N
MW193.29 g/mol
LogP1.58
Rot. Bonds3

About (3R)-1-(2-cyclohexa-2,4-dien-1-ylethyl)pyrrolidin-3-ol

(3R)-1-(2-cyclohexa-2,4-dien-1-ylethyl)pyrrolidin-3-ol (PubChem CID 175890314) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is (3R)-1-(2-cyclohexa-2,4-dien-1-ylethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-(2-cyclohexa-2,4-dien-1-ylethyl)pyrrolidin-3-ol
PubChem CID175890314
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name(3R)-1-(2-cyclohexa-2,4-dien-1-ylethyl)pyrrolidin-3-ol
SMILESO[C@@H]1CCN(CCC2C=CC=CC2)C1
InChIInChI=1S/C12H19NO/c14-12-7-9-13(10-12)8-6-11-4-2-1-3-5-11/h1-4,11-12,14H,5-10H2/t11?,12-/m1/s1
InChIKeyWQVCNYBIQJOTNQ-PIJUOVFKSA-N
XLogP1.58
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3R)-1-(2-cyclohexa-2,4-dien-1-ylethyl)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

Related Compounds

1-Methyl-4-prop-2-enylpyrrolidin-3-ol
CID 59079721
(3R)-1-(cyclohexa-1,5-dien-1-ylmethyl)pyrrolidin-3-ol
CID 68025517
(3R,4S)-1-[(1S)-1-ethylcyclohexa-2,4-dien-1-yl]-4-(hydroxymethyl)pyrrolidin-3-ol
CID 70010463
2-(2,3,3a,7a-Tetrahydroindol-1-yl)ethanol
CID 70526785
1-(Cyclohexa-1,5-dien-1-ylmethyl)pyrrolidin-3-ol
CID 77395022
1-(4,6,7-Trimethylcyclohepta-2,4-dien-1-yl)pyrrolidin-3-ol
CID 90701548
1-(4,5,6-Trimethylhept-3-enyl)pyrrolidin-3-ol
CID 123711237
1-(2,6-Dimethylhepta-2,4-dienyl)pyrrolidin-3-ol
CID 123870066
1-[(2E,4Z)-3-(3,6-dimethylcyclohexa-1,5-dien-1-yl)undeca-2,4-dienyl]pyrrolidin-3-ol
CID 134379538
(3R,4S)-1-methyl-4-prop-2-enylpyrrolidin-3-ol
CID 140584515
(3S,4S)-1-methyl-4-prop-2-enylpyrrolidin-3-ol
CID 163699802
(3S,4R)-4-(4-cyclohexa-2,4-dien-1-ylbutyl)-1-methylpyrrolidin-3-ol
CID 163789180

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-cyclohexa-2,4-dien-1-ylethyl)pyrrolidin-3-ol?
The IUPAC name of (3R)-1-(2-cyclohexa-2,4-dien-1-ylethyl)pyrrolidin-3-ol (CID 175890314) is (3R)-1-(2-cyclohexa-2,4-dien-1-ylethyl)pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-(2-cyclohexa-2,4-dien-1-ylethyl)pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-(2-cyclohexa-2,4-dien-1-ylethyl)pyrrolidin-3-ol is O[C@@H]1CCN(CCC2C=CC=CC2)C1.
What is the InChIKey of (3R)-1-(2-cyclohexa-2,4-dien-1-ylethyl)pyrrolidin-3-ol?
The InChIKey is WQVCNYBIQJOTNQ-PIJUOVFKSA-N. The full InChI is InChI=1S/C12H19NO/c14-12-7-9-13(10-12)8-6-11-4-2-1-3-5-11/h1-4,11-12,14H,5-10H2/t11?,12-/m1/s1.
What are the key properties of (3R)-1-(2-cyclohexa-2,4-dien-1-ylethyl)pyrrolidin-3-ol?
(3R)-1-(2-cyclohexa-2,4-dien-1-ylethyl)pyrrolidin-3-ol has a molecular weight of 193.29 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-cyclohexa-2,4-dien-1-ylethyl)pyrrolidin-3-ol is sourced from PubChem (CID 175890314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).