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

C8H15NO — CID 55287065

IUPAC[(2S,4R)-4-prop-2-enylpyrrolidin-2-yl]methanol
SMILESC=CC[C@H]1CN[C@H](CO)C1
InChIInChI=1S/C8H15NO/c1-2-3-7-4-8(6-10)9-5-7/h2,7-10H,1,3-6H2/t7-,8+/m1/s1
InChIKeyWHQUOVIZPNFUER-SFYZADRCSA-N
MW141.21 g/mol
LogP0.53
Rot. Bonds3

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

[(2S,4R)-4-prop-2-enylpyrrolidin-2-yl]methanol (PubChem CID 55287065) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is [(2S,4R)-4-prop-2-enylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4R)-4-prop-2-enylpyrrolidin-2-yl]methanol
PubChem CID55287065
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name[(2S,4R)-4-prop-2-enylpyrrolidin-2-yl]methanol
SMILESC=CC[C@H]1CN[C@H](CO)C1
InChIInChI=1S/C8H15NO/c1-2-3-7-4-8(6-10)9-5-7/h2,7-10H,1,3-6H2/t7-,8+/m1/s1
InChIKeyWHQUOVIZPNFUER-SFYZADRCSA-N
XLogP0.53
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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[(1S)-2,3,3a,4,7,7a-hexahydro-1H-isoindol-1-yl]methanol
CID 58907279
[(1S,3aR,7R,7aS)-7-methyl-2,3,3a,4,7,7a-hexahydro-1H-isoindol-1-yl]methanol
CID 67518732
[(1S,3aR,7aS)-2,3,3a,4,7,7a-hexahydro-1H-isoindol-1-yl]methanol
CID 67566586
1-[(2S,4R,5R)-4,5-dimethylpyrrolidin-2-yl]ethenol
CID 68337451
[2-(Prop-2-en-1-yl)pyrrolidin-2-yl]methanol
CID 78069313
[(2S,3S)-3-ethenylpiperidin-2-yl]methanol
CID 89269282
[(1S,3aR,7aS)-7-methyl-2,3,3a,4,7,7a-hexahydro-1H-isoindol-1-yl]methanol
CID 89298010
(R)-(4,4-diallylpyrrolidin-2-yl)methanol
CID 118343076
[4,4-Bis(prop-2-enyl)pyrrolidin-2-yl]methanol
CID 118343079
(4-Propa-1,2-dienylpyrrolidin-2-yl)methanol
CID 123346847
2-Methyl-1-pyrrolidin-2-ylbut-3-en-1-ol
CID 123387367

Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-4-prop-2-enylpyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,4R)-4-prop-2-enylpyrrolidin-2-yl]methanol (CID 55287065) is [(2S,4R)-4-prop-2-enylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,4R)-4-prop-2-enylpyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,4R)-4-prop-2-enylpyrrolidin-2-yl]methanol is C=CC[C@H]1CN[C@H](CO)C1.
What is the InChIKey of [(2S,4R)-4-prop-2-enylpyrrolidin-2-yl]methanol?
The InChIKey is WHQUOVIZPNFUER-SFYZADRCSA-N. The full InChI is InChI=1S/C8H15NO/c1-2-3-7-4-8(6-10)9-5-7/h2,7-10H,1,3-6H2/t7-,8+/m1/s1.
What are the key properties of [(2S,4R)-4-prop-2-enylpyrrolidin-2-yl]methanol?
[(2S,4R)-4-prop-2-enylpyrrolidin-2-yl]methanol has a molecular weight of 141.21 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-4-prop-2-enylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 55287065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).