[(3S,4S)-4-methyl-1-prop-2-enylpyrrolidin-3-yl]methanol

C9H17NO — CID 130610025

IUPAC[(3S,4S)-4-methyl-1-prop-2-enylpyrrolidin-3-yl]methanol
SMILESC=CCN1C[C@@H](CO)[C@H](C)C1
InChIInChI=1S/C9H17NO/c1-3-4-10-5-8(2)9(6-10)7-11/h3,8-9,11H,1,4-7H2,2H3/t8-,9+/m1/s1
InChIKeyQGDUTJACOFNMAV-BDAKNGLRSA-N
MW155.24 g/mol
LogP0.73
Rot. Bonds3

About [(3S,4S)-4-methyl-1-prop-2-enylpyrrolidin-3-yl]methanol

[(3S,4S)-4-methyl-1-prop-2-enylpyrrolidin-3-yl]methanol (PubChem CID 130610025) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is [(3S,4S)-4-methyl-1-prop-2-enylpyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S,4S)-4-methyl-1-prop-2-enylpyrrolidin-3-yl]methanol
PubChem CID130610025
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name[(3S,4S)-4-methyl-1-prop-2-enylpyrrolidin-3-yl]methanol
SMILESC=CCN1C[C@@H](CO)[C@H](C)C1
InChIInChI=1S/C9H17NO/c1-3-4-10-5-8(2)9(6-10)7-11/h3,8-9,11H,1,4-7H2,2H3/t8-,9+/m1/s1
InChIKeyQGDUTJACOFNMAV-BDAKNGLRSA-N
XLogP0.73
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(4-cyclopropyl-1-prop-2-enylpyrrolidin-3-yl)methanol
CID 22624487
1-prop-2-enylpyrrolidine-3,4-diol
CID 72779960
4-(hydroxymethyl)-1-prop-2-enylpiperidin-3-ol
CID 131131773
(1-benzyl-4-methylpyrrolidin-3-yl)methanol
CID 18713552
1-buta-2,3-dienyl-3-ethyl-4-methylpyrrolidine
CID 138507775
(1-prop-2-enylpyrrolidin-3-yl)methanol
CID 25219526
(1-prop-2-enylpiperidin-4-yl)methanol
CID 60768656
2-prop-2-enyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
CID 118017653
(3S)-3-methyl-1-prop-2-enylpyrrolidine
CID 142074687
1-[3-(hydroxymethyl)-4-methylpyrrolidin-1-yl]ethanone
CID 130768808
3-methyl-7-prop-2-enyl-3,7-diazabicyclo[3.3.1]nonane
CID 70507723
(6,6-dimethyl-4-prop-2-enylmorpholin-2-yl)methanol
CID 114779640

Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-4-methyl-1-prop-2-enylpyrrolidin-3-yl]methanol?
The IUPAC name of [(3S,4S)-4-methyl-1-prop-2-enylpyrrolidin-3-yl]methanol (CID 130610025) is [(3S,4S)-4-methyl-1-prop-2-enylpyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3S,4S)-4-methyl-1-prop-2-enylpyrrolidin-3-yl]methanol?
The canonical SMILES for [(3S,4S)-4-methyl-1-prop-2-enylpyrrolidin-3-yl]methanol is C=CCN1C[C@@H](CO)[C@H](C)C1.
What is the InChIKey of [(3S,4S)-4-methyl-1-prop-2-enylpyrrolidin-3-yl]methanol?
The InChIKey is QGDUTJACOFNMAV-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H17NO/c1-3-4-10-5-8(2)9(6-10)7-11/h3,8-9,11H,1,4-7H2,2H3/t8-,9+/m1/s1.
What are the key properties of [(3S,4S)-4-methyl-1-prop-2-enylpyrrolidin-3-yl]methanol?
[(3S,4S)-4-methyl-1-prop-2-enylpyrrolidin-3-yl]methanol has a molecular weight of 155.24 g/mol, XLogP of 0.73, 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-prop-2-enylpyrrolidin-3-yl]methanol is sourced from PubChem (CID 130610025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).