(3S,4S)-4-ethyl-1-methylpyrrolidin-3-ol

C7H15NO — CID 58230417

IUPAC(3S,4S)-4-ethyl-1-methylpyrrolidin-3-ol
SMILESCC[C@H]1CN(C)C[C@H]1O
InChIInChI=1S/C7H15NO/c1-3-6-4-8(2)5-7(6)9/h6-7,9H,3-5H2,1-2H3/t6-,7+/m0/s1
InChIKeyKLFXXVWAHVLIAF-NKWVEPMBSA-N
MW129.20 g/mol
LogP0.32
Rot. Bonds1

About (3S,4S)-4-ethyl-1-methylpyrrolidin-3-ol

(3S,4S)-4-ethyl-1-methylpyrrolidin-3-ol (PubChem CID 58230417) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is (3S,4S)-4-ethyl-1-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-ethyl-1-methylpyrrolidin-3-ol
PubChem CID58230417
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name(3S,4S)-4-ethyl-1-methylpyrrolidin-3-ol
SMILESCC[C@H]1CN(C)C[C@H]1O
InChIInChI=1S/C7H15NO/c1-3-6-4-8(2)5-7(6)9/h6-7,9H,3-5H2,1-2H3/t6-,7+/m0/s1
InChIKeyKLFXXVWAHVLIAF-NKWVEPMBSA-N
XLogP0.32
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3S,4S)-4-ethyl-1-methylpyrrolidin-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

4-Ethylpyrrolidin-3-ol
CID 54549521
5-Methyl-5-azaspiro(2.4)heptan-7-ol
CID 83872214
3-Ethyl-4-hydroxypyrrolidine-1-sulfinate
CID 129296442
2,2,2-Trifluoro-1-(1-methylpyrrolidin-3-yl)ethanol
CID 60007123
1,2,2-Trimethylpyrrolidin-3-ol
CID 82418713
2,2-Difluoro-1-(1-methylpyrrolidin-3-yl)ethanol
CID 118883059
1-Methyl-4-(2,2,2-trifluoroethyl)pyrrolidin-3-ol
CID 155160475
1-[(3R)-3-fluoropyrrolidin-1-yl]-4-methylpentan-2-ol
CID 163393183
1-(3-Fluoropyrrolidin-1-yl)-4-methylpentan-2-ol
CID 171837375
1-[(3R)-3-fluoro-1-methylpyrrolidin-3-yl]ethanol
CID 178035011
1-(3-Fluoro-1-methylpyrrolidin-3-yl)ethanol
CID 178035073
1-[(3S)-3-fluoro-1-methylpyrrolidin-3-yl]ethanol
CID 178035081

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-ethyl-1-methylpyrrolidin-3-ol?
The IUPAC name of (3S,4S)-4-ethyl-1-methylpyrrolidin-3-ol (CID 58230417) is (3S,4S)-4-ethyl-1-methylpyrrolidin-3-ol.
What is the SMILES notation for (3S,4S)-4-ethyl-1-methylpyrrolidin-3-ol?
The canonical SMILES for (3S,4S)-4-ethyl-1-methylpyrrolidin-3-ol is CC[C@H]1CN(C)C[C@H]1O.
What is the InChIKey of (3S,4S)-4-ethyl-1-methylpyrrolidin-3-ol?
The InChIKey is KLFXXVWAHVLIAF-NKWVEPMBSA-N. The full InChI is InChI=1S/C7H15NO/c1-3-6-4-8(2)5-7(6)9/h6-7,9H,3-5H2,1-2H3/t6-,7+/m0/s1.
What are the key properties of (3S,4S)-4-ethyl-1-methylpyrrolidin-3-ol?
(3S,4S)-4-ethyl-1-methylpyrrolidin-3-ol has a molecular weight of 129.20 g/mol, XLogP of 0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-ethyl-1-methylpyrrolidin-3-ol is sourced from PubChem (CID 58230417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).