[(3S)-1-propylpyrrolidin-3-yl]methanol

C8H17NO — CID 42258679

IUPAC[(3S)-1-propylpyrrolidin-3-yl]methanol
SMILESCCCN1CC[C@H](CO)C1
InChIInChI=1S/C8H17NO/c1-2-4-9-5-3-8(6-9)7-10/h8,10H,2-7H2,1H3/t8-/m0/s1
InChIKeyRJAJCQKKDKQAEN-QMMMGPOBSA-N
MW143.23 g/mol
LogP0.71
Rot. Bonds3

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

[(3S)-1-propylpyrrolidin-3-yl]methanol (PubChem CID 42258679) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is [(3S)-1-propylpyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-1-propylpyrrolidin-3-yl]methanol
PubChem CID42258679
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name[(3S)-1-propylpyrrolidin-3-yl]methanol
SMILESCCCN1CC[C@H](CO)C1
InChIInChI=1S/C8H17NO/c1-2-4-9-5-3-8(6-9)7-10/h8,10H,2-7H2,1H3/t8-/m0/s1
InChIKeyRJAJCQKKDKQAEN-QMMMGPOBSA-N
XLogP0.71
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.71
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
(1-Isopropylpyrrolidin-3-yl)methanol
CID 16641305
(1-Ethylpyrrolidin-3-yl)methanol
CID 21702849
(1-Cyclopropylpyrrolidin-3-yl)methanol
CID 24275425
2-Methyl-3-(pyrrolidin-1-yl)propan-1-ol
CID 25219176
(1-((Pyrrolidin-1-yl)methyl)cyclopropyl)methanol
CID 66854227
1-Methylpyrrolidin-2-ol
CID 111279
N-isopentyl-3-hydroxymethylpyrrolidine
CID 10241251

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-propylpyrrolidin-3-yl]methanol?
The IUPAC name of [(3S)-1-propylpyrrolidin-3-yl]methanol (CID 42258679) is [(3S)-1-propylpyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3S)-1-propylpyrrolidin-3-yl]methanol?
The canonical SMILES for [(3S)-1-propylpyrrolidin-3-yl]methanol is CCCN1CC[C@H](CO)C1.
What is the InChIKey of [(3S)-1-propylpyrrolidin-3-yl]methanol?
The InChIKey is RJAJCQKKDKQAEN-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H17NO/c1-2-4-9-5-3-8(6-9)7-10/h8,10H,2-7H2,1H3/t8-/m0/s1.
What are the key properties of [(3S)-1-propylpyrrolidin-3-yl]methanol?
[(3S)-1-propylpyrrolidin-3-yl]methanol has a molecular weight of 143.23 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-propylpyrrolidin-3-yl]methanol is sourced from PubChem (CID 42258679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).