(1-Ethyl-4,5-dimethylpyrrolidin-2-yl)methanol

C9H19NO — CID 58067546

IUPAC(1-ethyl-4,5-dimethylpyrrolidin-2-yl)methanol
SMILESCCN1C(C(CC1CO)C)C
InChIInChI=1S/C9H19NO/c1-4-10-8(3)7(2)5-9(10)6-11/h7-9,11H,4-6H2,1-3H3
InChIKeyCZMIRHWVOXGFJW-UHFFFAOYSA-N
MW157.25 g/mol
LogP1.40
Rot. Bonds2

About (1-Ethyl-4,5-dimethylpyrrolidin-2-yl)methanol

(1-Ethyl-4,5-dimethylpyrrolidin-2-yl)methanol (PubChem CID 58067546) has the molecular formula C9H19NO and a molecular weight of 157.25 g/mol. Its IUPAC name is (1-ethyl-4,5-dimethylpyrrolidin-2-yl)methanol.

Molecular Properties

Compound Name(1-Ethyl-4,5-dimethylpyrrolidin-2-yl)methanol
PubChem CID58067546
Molecular FormulaC9H19NO
Molecular Weight157.25 g/mol
Exact Mass157.15
IUPAC Name(1-ethyl-4,5-dimethylpyrrolidin-2-yl)methanol
SMILESCCN1C(C(CC1CO)C)C
InChIInChI=1S/C9H19NO/c1-4-10-8(3)7(2)5-9(10)6-11/h7-9,11H,4-6H2,1-3H3
InChIKeyCZMIRHWVOXGFJW-UHFFFAOYSA-N
XLogP1.40
TPSA23.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity127

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.25
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-Ethyl-1-methylpyrrolidin-2-yl)methanol
CID 71757811
[(2S,4S)-4-fluoro-1-(2-methylpropyl)pyrrolidin-2-yl]methanol
CID 127004508
[4-Fluoro-1-(2-methylpropyl)pyrrolidin-2-yl]methanol
CID 130709579
[3-Methyl-1-(2-methylpropyl)-4-(trifluoromethyl)pyrrolidin-2-yl]methanol
CID 142794277
[(2R)-1-(2,2-difluoroethyl)-3,5-dimethylpyrrolidin-2-yl]methanol
CID 154990714
[(2S,4R)-2-ethyl-4-fluoro-1-methylpyrrolidin-2-yl]methanol
CID 164878963
[(2S,4R)-4-fluoro-1-methyl-2-propylpyrrolidin-2-yl]methanol
CID 164878972
[(2R,3R)-3-(fluoromethyl)-1,2-dimethylpyrrolidin-2-yl]methanol
CID 169131326
[(2R,3S)-3-(fluoromethyl)-1,2-dimethylpyrrolidin-2-yl]methanol
CID 169131328
[(2S)-4-fluoro-4-methyl-1-propan-2-ylpyrrolidin-2-yl]methanol
CID 169177457
(1S)-1-[(2S)-4-fluoro-1,4-dimethylpyrrolidin-2-yl]ethanol
CID 170015918
[2-(2-Fluoroethyl)-1-methylpyrrolidin-2-yl]methanol
CID 170357246

Frequently Asked Questions

What is the IUPAC name of (1-Ethyl-4,5-dimethylpyrrolidin-2-yl)methanol?
The IUPAC name of (1-Ethyl-4,5-dimethylpyrrolidin-2-yl)methanol (CID 58067546) is (1-ethyl-4,5-dimethylpyrrolidin-2-yl)methanol.
What is the SMILES notation for (1-Ethyl-4,5-dimethylpyrrolidin-2-yl)methanol?
The canonical SMILES for (1-Ethyl-4,5-dimethylpyrrolidin-2-yl)methanol is CCN1C(C(CC1CO)C)C.
What is the InChIKey of (1-Ethyl-4,5-dimethylpyrrolidin-2-yl)methanol?
The InChIKey is CZMIRHWVOXGFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-4-10-8(3)7(2)5-9(10)6-11/h7-9,11H,4-6H2,1-3H3.
What are the key properties of (1-Ethyl-4,5-dimethylpyrrolidin-2-yl)methanol?
(1-Ethyl-4,5-dimethylpyrrolidin-2-yl)methanol has a molecular weight of 157.25 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-Ethyl-4,5-dimethylpyrrolidin-2-yl)methanol is sourced from PubChem (CID 58067546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).