[(3S,4S)-4-methyl-1-propylpyrrolidin-3-yl]methanol

C9H19NO — CID 126987318

IUPAC[(3S,4S)-4-methyl-1-propylpyrrolidin-3-yl]methanol
SMILESCCCN1C[C@@H](CO)[C@H](C)C1
InChIInChI=1S/C9H19NO/c1-3-4-10-5-8(2)9(6-10)7-11/h8-9,11H,3-7H2,1-2H3/t8-,9+/m1/s1
InChIKeyFVKSOTLJPPGNKY-BDAKNGLRSA-N
MW157.26 g/mol
LogP0.96
Rot. Bonds3

About [(3S,4S)-4-methyl-1-propylpyrrolidin-3-yl]methanol

[(3S,4S)-4-methyl-1-propylpyrrolidin-3-yl]methanol (PubChem CID 126987318) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is [(3S,4S)-4-methyl-1-propylpyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S,4S)-4-methyl-1-propylpyrrolidin-3-yl]methanol
PubChem CID126987318
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name[(3S,4S)-4-methyl-1-propylpyrrolidin-3-yl]methanol
SMILESCCCN1C[C@@H](CO)[C@H](C)C1
InChIInChI=1S/C9H19NO/c1-3-4-10-5-8(2)9(6-10)7-11/h8-9,11H,3-7H2,1-2H3/t8-,9+/m1/s1
InChIKeyFVKSOTLJPPGNKY-BDAKNGLRSA-N
XLogP0.96
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2-Methoxyethyl)pyrrolidin-3-yl]methanol
CID 268108
4-(Diisobutylamino)-1-butanol
CID 144414
2,2-Dimethyl-3-(Pyrrolidin-1-Yl)Propan-1-Ol
CID 268115
(1-Methylpyrrolidin-3-yl)methanol
CID 295970
4-(Pyrrolidin-1-yl)butan-1-ol
CID 13171952
2-(3,4-Dimethylpyrrolidin-1-yl)ethan-1-ol
CID 3048267
(1-Isopropylpyrrolidin-3-yl)methanol
CID 16641305
(1-Ethylpyrrolidin-3-yl)methanol
CID 21702849
2-Methyl-3-(pyrrolidin-1-yl)propan-1-ol
CID 25219176
N-isopentyl-3-hydroxymethylpyrrolidine
CID 10241251
[(3R)-1-(prop-2-yn-1-yl)pyrrolidin-3-yl]methanol
CID 130687644
[(3S)-1-methylpyrrolidin-3-yl]methanol hydrochloride
CID 154814266

Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-4-methyl-1-propylpyrrolidin-3-yl]methanol?
The IUPAC name of [(3S,4S)-4-methyl-1-propylpyrrolidin-3-yl]methanol (CID 126987318) is [(3S,4S)-4-methyl-1-propylpyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3S,4S)-4-methyl-1-propylpyrrolidin-3-yl]methanol?
The canonical SMILES for [(3S,4S)-4-methyl-1-propylpyrrolidin-3-yl]methanol is CCCN1C[C@@H](CO)[C@H](C)C1.
What is the InChIKey of [(3S,4S)-4-methyl-1-propylpyrrolidin-3-yl]methanol?
The InChIKey is FVKSOTLJPPGNKY-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H19NO/c1-3-4-10-5-8(2)9(6-10)7-11/h8-9,11H,3-7H2,1-2H3/t8-,9+/m1/s1.
What are the key properties of [(3S,4S)-4-methyl-1-propylpyrrolidin-3-yl]methanol?
[(3S,4S)-4-methyl-1-propylpyrrolidin-3-yl]methanol has a molecular weight of 157.26 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-4-methyl-1-propylpyrrolidin-3-yl]methanol is sourced from PubChem (CID 126987318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).