(3S,4S)-4-methyl-5-propan-2-yl-2-propan-2-ylidene-3,4-dihydropyrrol-3-ol

C11H19NO — CID 163978754

IUPAC(3S,4S)-4-methyl-5-propan-2-yl-2-propan-2-ylidene-3,4-dihydropyrrol-3-ol
SMILESCC(C)=C1N=C(C(C)C)[C@H](C)[C@@H]1O
InChIInChI=1S/C11H19NO/c1-6(2)9-8(5)11(13)10(12-9)7(3)4/h6,8,11,13H,1-5H3/t8-,11-/m0/s1
InChIKeySWMUVZMZMKMCDU-KWQFWETISA-N
MW181.28 g/mol
LogP2.39
Rot. Bonds1

About (3S,4S)-4-methyl-5-propan-2-yl-2-propan-2-ylidene-3,4-dihydropyrrol-3-ol

(3S,4S)-4-methyl-5-propan-2-yl-2-propan-2-ylidene-3,4-dihydropyrrol-3-ol (PubChem CID 163978754) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (3S,4S)-4-methyl-5-propan-2-yl-2-propan-2-ylidene-3,4-dihydropyrrol-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-methyl-5-propan-2-yl-2-propan-2-ylidene-3,4-dihydropyrrol-3-ol
PubChem CID163978754
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(3S,4S)-4-methyl-5-propan-2-yl-2-propan-2-ylidene-3,4-dihydropyrrol-3-ol
SMILESCC(C)=C1N=C(C(C)C)[C@H](C)[C@@H]1O
InChIInChI=1S/C11H19NO/c1-6(2)9-8(5)11(13)10(12-9)7(3)4/h6,8,11,13H,1-5H3/t8-,11-/m0/s1
InChIKeySWMUVZMZMKMCDU-KWQFWETISA-N
XLogP2.39
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3S,4S)-4-methyl-5-propan-2-yl-2-propan-2-ylidene-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,4S)-4-methyl-5-propan-2-yl-2-propan-2-ylidene-3,4-dihydropyrrol-3-ol?
The IUPAC name of (3S,4S)-4-methyl-5-propan-2-yl-2-propan-2-ylidene-3,4-dihydropyrrol-3-ol (CID 163978754) is (3S,4S)-4-methyl-5-propan-2-yl-2-propan-2-ylidene-3,4-dihydropyrrol-3-ol.
What is the SMILES notation for (3S,4S)-4-methyl-5-propan-2-yl-2-propan-2-ylidene-3,4-dihydropyrrol-3-ol?
The canonical SMILES for (3S,4S)-4-methyl-5-propan-2-yl-2-propan-2-ylidene-3,4-dihydropyrrol-3-ol is CC(C)=C1N=C(C(C)C)[C@H](C)[C@@H]1O.
What is the InChIKey of (3S,4S)-4-methyl-5-propan-2-yl-2-propan-2-ylidene-3,4-dihydropyrrol-3-ol?
The InChIKey is SWMUVZMZMKMCDU-KWQFWETISA-N. The full InChI is InChI=1S/C11H19NO/c1-6(2)9-8(5)11(13)10(12-9)7(3)4/h6,8,11,13H,1-5H3/t8-,11-/m0/s1.
What are the key properties of (3S,4S)-4-methyl-5-propan-2-yl-2-propan-2-ylidene-3,4-dihydropyrrol-3-ol?
(3S,4S)-4-methyl-5-propan-2-yl-2-propan-2-ylidene-3,4-dihydropyrrol-3-ol has a molecular weight of 181.28 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-methyl-5-propan-2-yl-2-propan-2-ylidene-3,4-dihydropyrrol-3-ol is sourced from PubChem (CID 163978754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).