(3R,4S)-1-methyl-4-prop-2-enylpyrrolidin-3-ol

C8H15NO — CID 140584515

IUPAC(3R,4S)-1-methyl-4-prop-2-enylpyrrolidin-3-ol
SMILESC=CC[C@H]1CN(C)C[C@@H]1O
InChIInChI=1S/C8H15NO/c1-3-4-7-5-9(2)6-8(7)10/h3,7-8,10H,1,4-6H2,2H3/t7-,8-/m0/s1
InChIKeyKAACVBUXCZZWJW-YUMQZZPRSA-N
MW141.21 g/mol
LogP0.49
Rot. Bonds2

About (3R,4S)-1-methyl-4-prop-2-enylpyrrolidin-3-ol

(3R,4S)-1-methyl-4-prop-2-enylpyrrolidin-3-ol (PubChem CID 140584515) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (3R,4S)-1-methyl-4-prop-2-enylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4S)-1-methyl-4-prop-2-enylpyrrolidin-3-ol
PubChem CID140584515
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(3R,4S)-1-methyl-4-prop-2-enylpyrrolidin-3-ol
SMILESC=CC[C@H]1CN(C)C[C@@H]1O
InChIInChI=1S/C8H15NO/c1-3-4-7-5-9(2)6-8(7)10/h3,7-8,10H,1,4-6H2,2H3/t7-,8-/m0/s1
InChIKeyKAACVBUXCZZWJW-YUMQZZPRSA-N
XLogP0.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.49
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

rac-(3R,4S)-4-(prop-2-en-1-yl)pyrrolidin-3-ol
CID 55287060
4-(Prop-2-EN-1-YL)pyrrolidin-3-OL
CID 58691764
1-Methyl-4-prop-2-enylpyrrolidin-3-ol
CID 59079721
(3R,4S)-3-hydroxy-4-prop-2-enylpyrrolidine-1-carboxylic acid
CID 67969118
3-Hydroxy-4-prop-2-enylpyrrolidine-1-carboxylic acid
CID 67969119
rel-(3R,4S)-4-Allylpyrrolidin-3-ol
CID 69675805
1-(4-Methylpent-4-enyl)pyrrolidin-3-ol
CID 123249467
(3R,4S)-1-tert-butyl-4-prop-2-enylpyrrolidin-3-ol
CID 130367474
(3R,4R)-1-tert-butyl-4-prop-2-enylpyrrolidin-3-ol
CID 130367769
(3S,4S)-4-prop-2-enylpyrrolidin-3-ol
CID 131452932
(3R,4S)-1-methyl-4-prop-1-en-2-ylpyrrolidin-3-ol
CID 140584520
1-Methyl-4-prop-1-en-2-ylpyrrolidin-3-ol
CID 140584526

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-methyl-4-prop-2-enylpyrrolidin-3-ol?
The IUPAC name of (3R,4S)-1-methyl-4-prop-2-enylpyrrolidin-3-ol (CID 140584515) is (3R,4S)-1-methyl-4-prop-2-enylpyrrolidin-3-ol.
What is the SMILES notation for (3R,4S)-1-methyl-4-prop-2-enylpyrrolidin-3-ol?
The canonical SMILES for (3R,4S)-1-methyl-4-prop-2-enylpyrrolidin-3-ol is C=CC[C@H]1CN(C)C[C@@H]1O.
What is the InChIKey of (3R,4S)-1-methyl-4-prop-2-enylpyrrolidin-3-ol?
The InChIKey is KAACVBUXCZZWJW-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H15NO/c1-3-4-7-5-9(2)6-8(7)10/h3,7-8,10H,1,4-6H2,2H3/t7-,8-/m0/s1.
What are the key properties of (3R,4S)-1-methyl-4-prop-2-enylpyrrolidin-3-ol?
(3R,4S)-1-methyl-4-prop-2-enylpyrrolidin-3-ol has a molecular weight of 141.21 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-methyl-4-prop-2-enylpyrrolidin-3-ol is sourced from PubChem (CID 140584515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).