(3S,4R)-4-methoxy-5-methyl-2-methylidene-3,4-dihydropyrrol-3-ol

C7H11NO2 — CID 148832394

IUPAC(3S,4R)-4-methoxy-5-methyl-2-methylidene-3,4-dihydropyrrol-3-ol
SMILESC=C1N=C(C)[C@@H](OC)[C@H]1O
InChIInChI=1S/C7H11NO2/c1-4-6(9)7(10-3)5(2)8-4/h6-7,9H,1H2,2-3H3/t6-,7+/m0/s1
InChIKeyOTXXFFKZWIONAJ-NKWVEPMBSA-N
MW141.17 g/mol
LogP0.35
Rot. Bonds1

About (3S,4R)-4-methoxy-5-methyl-2-methylidene-3,4-dihydropyrrol-3-ol

(3S,4R)-4-methoxy-5-methyl-2-methylidene-3,4-dihydropyrrol-3-ol (PubChem CID 148832394) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is (3S,4R)-4-methoxy-5-methyl-2-methylidene-3,4-dihydropyrrol-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-methoxy-5-methyl-2-methylidene-3,4-dihydropyrrol-3-ol
PubChem CID148832394
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name(3S,4R)-4-methoxy-5-methyl-2-methylidene-3,4-dihydropyrrol-3-ol
SMILESC=C1N=C(C)[C@@H](OC)[C@H]1O
InChIInChI=1S/C7H11NO2/c1-4-6(9)7(10-3)5(2)8-4/h6-7,9H,1H2,2-3H3/t6-,7+/m0/s1
InChIKeyOTXXFFKZWIONAJ-NKWVEPMBSA-N
XLogP0.35
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S,4R)-4-methoxy-5-methyl-2-methylidene-3,4-dihydropyrrol-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-methoxy-5-methyl-2-methylidene-3,4-dihydropyrrol-3-ol?
The IUPAC name of (3S,4R)-4-methoxy-5-methyl-2-methylidene-3,4-dihydropyrrol-3-ol (CID 148832394) is (3S,4R)-4-methoxy-5-methyl-2-methylidene-3,4-dihydropyrrol-3-ol.
What is the SMILES notation for (3S,4R)-4-methoxy-5-methyl-2-methylidene-3,4-dihydropyrrol-3-ol?
The canonical SMILES for (3S,4R)-4-methoxy-5-methyl-2-methylidene-3,4-dihydropyrrol-3-ol is C=C1N=C(C)[C@@H](OC)[C@H]1O.
What is the InChIKey of (3S,4R)-4-methoxy-5-methyl-2-methylidene-3,4-dihydropyrrol-3-ol?
The InChIKey is OTXXFFKZWIONAJ-NKWVEPMBSA-N. The full InChI is InChI=1S/C7H11NO2/c1-4-6(9)7(10-3)5(2)8-4/h6-7,9H,1H2,2-3H3/t6-,7+/m0/s1.
What are the key properties of (3S,4R)-4-methoxy-5-methyl-2-methylidene-3,4-dihydropyrrol-3-ol?
(3S,4R)-4-methoxy-5-methyl-2-methylidene-3,4-dihydropyrrol-3-ol has a molecular weight of 141.17 g/mol, XLogP of 0.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-methoxy-5-methyl-2-methylidene-3,4-dihydropyrrol-3-ol is sourced from PubChem (CID 148832394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).