(1R)-1-[(2S)-2,5-dihydro-1H-pyrrol-2-yl]decan-1-ol

C14H27NO — CID 102195816

IUPAC(1R)-1-[(2S)-2,5-dihydro-1H-pyrrol-2-yl]decan-1-ol
SMILESCCCCCCCCC[C@@H](O)[C@@H]1C=CCN1
InChIInChI=1S/C14H27NO/c1-2-3-4-5-6-7-8-11-14(16)13-10-9-12-15-13/h9-10,13-16H,2-8,11-12H2,1H3/t13-,14+/m0/s1
InChIKeyOAMJCBWYZZGCCE-UONOGXRCSA-N
MW225.38 g/mol
LogP3.02
Rot. Bonds9

About (1R)-1-[(2S)-2,5-dihydro-1H-pyrrol-2-yl]decan-1-ol

(1R)-1-[(2S)-2,5-dihydro-1H-pyrrol-2-yl]decan-1-ol (PubChem CID 102195816) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is (1R)-1-[(2S)-2,5-dihydro-1H-pyrrol-2-yl]decan-1-ol.

Molecular Properties

Compound Name(1R)-1-[(2S)-2,5-dihydro-1H-pyrrol-2-yl]decan-1-ol
PubChem CID102195816
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name(1R)-1-[(2S)-2,5-dihydro-1H-pyrrol-2-yl]decan-1-ol
SMILESCCCCCCCCC[C@@H](O)[C@@H]1C=CCN1
InChIInChI=1S/C14H27NO/c1-2-3-4-5-6-7-8-11-14(16)13-10-9-12-15-13/h9-10,13-16H,2-8,11-12H2,1H3/t13-,14+/m0/s1
InChIKeyOAMJCBWYZZGCCE-UONOGXRCSA-N
XLogP3.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R)-1-[(2S)-2,5-dihydro-1H-pyrrol-2-yl]decan-1-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 (1R)-1-[(2S)-2,5-dihydro-1H-pyrrol-2-yl]decan-1-ol?
The IUPAC name of (1R)-1-[(2S)-2,5-dihydro-1H-pyrrol-2-yl]decan-1-ol (CID 102195816) is (1R)-1-[(2S)-2,5-dihydro-1H-pyrrol-2-yl]decan-1-ol.
What is the SMILES notation for (1R)-1-[(2S)-2,5-dihydro-1H-pyrrol-2-yl]decan-1-ol?
The canonical SMILES for (1R)-1-[(2S)-2,5-dihydro-1H-pyrrol-2-yl]decan-1-ol is CCCCCCCCC[C@@H](O)[C@@H]1C=CCN1.
What is the InChIKey of (1R)-1-[(2S)-2,5-dihydro-1H-pyrrol-2-yl]decan-1-ol?
The InChIKey is OAMJCBWYZZGCCE-UONOGXRCSA-N. The full InChI is InChI=1S/C14H27NO/c1-2-3-4-5-6-7-8-11-14(16)13-10-9-12-15-13/h9-10,13-16H,2-8,11-12H2,1H3/t13-,14+/m0/s1.
What are the key properties of (1R)-1-[(2S)-2,5-dihydro-1H-pyrrol-2-yl]decan-1-ol?
(1R)-1-[(2S)-2,5-dihydro-1H-pyrrol-2-yl]decan-1-ol has a molecular weight of 225.38 g/mol, XLogP of 3.02, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(2S)-2,5-dihydro-1H-pyrrol-2-yl]decan-1-ol is sourced from PubChem (CID 102195816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).