(3S)-4-methyl-4-prop-1-en-2-ylpyrrolidin-3-ol

C8H15NO — CID 139303205

IUPAC(3S)-4-methyl-4-prop-1-en-2-ylpyrrolidin-3-ol
SMILESC=C(C)C1(C)CNC[C@H]1O
InChIInChI=1S/C8H15NO/c1-6(2)8(3)5-9-4-7(8)10/h7,9-10H,1,4-5H2,2-3H3/t7-,8?/m1/s1
InChIKeyVDDSXKVWWLVQRA-GVHYBUMESA-N
MW141.21 g/mol
LogP0.53
Rot. Bonds1

About (3S)-4-methyl-4-prop-1-en-2-ylpyrrolidin-3-ol

(3S)-4-methyl-4-prop-1-en-2-ylpyrrolidin-3-ol (PubChem CID 139303205) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (3S)-4-methyl-4-prop-1-en-2-ylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-4-methyl-4-prop-1-en-2-ylpyrrolidin-3-ol
PubChem CID139303205
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(3S)-4-methyl-4-prop-1-en-2-ylpyrrolidin-3-ol
SMILESC=C(C)C1(C)CNC[C@H]1O
InChIInChI=1S/C8H15NO/c1-6(2)8(3)5-9-4-7(8)10/h7,9-10H,1,4-5H2,2-3H3/t7-,8?/m1/s1
InChIKeyVDDSXKVWWLVQRA-GVHYBUMESA-N
XLogP0.53
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
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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Frequently Asked Questions

What is the IUPAC name of (3S)-4-methyl-4-prop-1-en-2-ylpyrrolidin-3-ol?
The IUPAC name of (3S)-4-methyl-4-prop-1-en-2-ylpyrrolidin-3-ol (CID 139303205) is (3S)-4-methyl-4-prop-1-en-2-ylpyrrolidin-3-ol.
What is the SMILES notation for (3S)-4-methyl-4-prop-1-en-2-ylpyrrolidin-3-ol?
The canonical SMILES for (3S)-4-methyl-4-prop-1-en-2-ylpyrrolidin-3-ol is C=C(C)C1(C)CNC[C@H]1O.
What is the InChIKey of (3S)-4-methyl-4-prop-1-en-2-ylpyrrolidin-3-ol?
The InChIKey is VDDSXKVWWLVQRA-GVHYBUMESA-N. The full InChI is InChI=1S/C8H15NO/c1-6(2)8(3)5-9-4-7(8)10/h7,9-10H,1,4-5H2,2-3H3/t7-,8?/m1/s1.
What are the key properties of (3S)-4-methyl-4-prop-1-en-2-ylpyrrolidin-3-ol?
(3S)-4-methyl-4-prop-1-en-2-ylpyrrolidin-3-ol has a molecular weight of 141.21 g/mol, XLogP of 0.53, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-methyl-4-prop-1-en-2-ylpyrrolidin-3-ol is sourced from PubChem (CID 139303205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).