[(2S,4R)-4-propylpyrrolidin-2-yl]methanol

C8H17NO — CID 89351797

IUPAC[(2S,4R)-4-propylpyrrolidin-2-yl]methanol
SMILESCCC[C@H]1CN[C@H](CO)C1
InChIInChI=1S/C8H17NO/c1-2-3-7-4-8(6-10)9-5-7/h7-10H,2-6H2,1H3/t7-,8+/m1/s1
InChIKeyNYWJJILBMFBDLX-SFYZADRCSA-N
MW143.23 g/mol
LogP0.76
Rot. Bonds3

About [(2S,4R)-4-propylpyrrolidin-2-yl]methanol

[(2S,4R)-4-propylpyrrolidin-2-yl]methanol (PubChem CID 89351797) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is [(2S,4R)-4-propylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4R)-4-propylpyrrolidin-2-yl]methanol
PubChem CID89351797
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name[(2S,4R)-4-propylpyrrolidin-2-yl]methanol
SMILESCCC[C@H]1CN[C@H](CO)C1
InChIInChI=1S/C8H17NO/c1-2-3-7-4-8(6-10)9-5-7/h7-10H,2-6H2,1H3/t7-,8+/m1/s1
InChIKeyNYWJJILBMFBDLX-SFYZADRCSA-N
XLogP0.76
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(2,2-dimethylpropyl)pyrrolidin-2-yl]methanol
CID 117270746
(4-aminopyrrolidin-2-yl)methanol;ethane
CID 178036634
(6-propylpiperidin-3-yl)methanol
CID 105430782
[(2S)-4-methoxypyrrolidin-2-yl]methanol
CID 159031091
[(4R)-4-methylpyrrolidin-2-yl]methanol
CID 149144026
[(2R,4S)-4-methylpyrrolidin-2-yl]methanol;hydrochloride
CID 68644094
[4-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]methanol
CID 117270406
N-[(4S)-4-propylpyrrolidin-2-yl]formamide
CID 174980163
[4-(piperidin-1-ylmethyl)pyrrolidin-2-yl]methanol
CID 117270876
[4-[(1-ethylpyrrolidin-2-yl)methyl]pyrrolidin-2-yl]methanol
CID 117270553
[(2R,4S)-4-dodecoxypyrrolidin-2-yl]methanol
CID 155531919
[(2S)-4-methylsulfanylpyrrolidin-2-yl]methanol
CID 88973819

Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-4-propylpyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,4R)-4-propylpyrrolidin-2-yl]methanol (CID 89351797) is [(2S,4R)-4-propylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,4R)-4-propylpyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,4R)-4-propylpyrrolidin-2-yl]methanol is CCC[C@H]1CN[C@H](CO)C1.
What is the InChIKey of [(2S,4R)-4-propylpyrrolidin-2-yl]methanol?
The InChIKey is NYWJJILBMFBDLX-SFYZADRCSA-N. The full InChI is InChI=1S/C8H17NO/c1-2-3-7-4-8(6-10)9-5-7/h7-10H,2-6H2,1H3/t7-,8+/m1/s1.
What are the key properties of [(2S,4R)-4-propylpyrrolidin-2-yl]methanol?
[(2S,4R)-4-propylpyrrolidin-2-yl]methanol has a molecular weight of 143.23 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-4-propylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 89351797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).