(1R)-1-[(2S)-1,2-dimethyl-4-methylidenepyrrolidin-2-yl]ethanol

C9H17NO — CID 145041183

IUPAC(1R)-1-[(2S)-1,2-dimethyl-4-methylidenepyrrolidin-2-yl]ethanol
SMILESC=C1CN(C)[C@](C)([C@@H](C)O)C1
InChIInChI=1S/C9H17NO/c1-7-5-9(3,8(2)11)10(4)6-7/h8,11H,1,5-6H2,2-4H3/t8-,9+/m1/s1
InChIKeyHNBXSIADXJCQFY-BDAKNGLRSA-N
MW155.24 g/mol
LogP1.02
Rot. Bonds1

About (1R)-1-[(2S)-1,2-dimethyl-4-methylidenepyrrolidin-2-yl]ethanol

(1R)-1-[(2S)-1,2-dimethyl-4-methylidenepyrrolidin-2-yl]ethanol (PubChem CID 145041183) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (1R)-1-[(2S)-1,2-dimethyl-4-methylidenepyrrolidin-2-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[(2S)-1,2-dimethyl-4-methylidenepyrrolidin-2-yl]ethanol
PubChem CID145041183
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(1R)-1-[(2S)-1,2-dimethyl-4-methylidenepyrrolidin-2-yl]ethanol
SMILESC=C1CN(C)[C@](C)([C@@H](C)O)C1
InChIInChI=1S/C9H17NO/c1-7-5-9(3,8(2)11)10(4)6-7/h8,11H,1,5-6H2,2-4H3/t8-,9+/m1/s1
InChIKeyHNBXSIADXJCQFY-BDAKNGLRSA-N
XLogP1.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R)-1-[(2S)-1,2-dimethyl-4-methylidenepyrrolidin-2-yl]ethanol 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)-1,2-dimethyl-4-methylidenepyrrolidin-2-yl]ethanol?
The IUPAC name of (1R)-1-[(2S)-1,2-dimethyl-4-methylidenepyrrolidin-2-yl]ethanol (CID 145041183) is (1R)-1-[(2S)-1,2-dimethyl-4-methylidenepyrrolidin-2-yl]ethanol.
What is the SMILES notation for (1R)-1-[(2S)-1,2-dimethyl-4-methylidenepyrrolidin-2-yl]ethanol?
The canonical SMILES for (1R)-1-[(2S)-1,2-dimethyl-4-methylidenepyrrolidin-2-yl]ethanol is C=C1CN(C)[C@](C)([C@@H](C)O)C1.
What is the InChIKey of (1R)-1-[(2S)-1,2-dimethyl-4-methylidenepyrrolidin-2-yl]ethanol?
The InChIKey is HNBXSIADXJCQFY-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H17NO/c1-7-5-9(3,8(2)11)10(4)6-7/h8,11H,1,5-6H2,2-4H3/t8-,9+/m1/s1.
What are the key properties of (1R)-1-[(2S)-1,2-dimethyl-4-methylidenepyrrolidin-2-yl]ethanol?
(1R)-1-[(2S)-1,2-dimethyl-4-methylidenepyrrolidin-2-yl]ethanol has a molecular weight of 155.24 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(2S)-1,2-dimethyl-4-methylidenepyrrolidin-2-yl]ethanol is sourced from PubChem (CID 145041183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).