(1E)-1-[(2E)-2-ethylidene-5-methyl-1H-pyrrol-3-ylidene]ethanol

C9H13NO — CID 143459784

IUPAC(1E)-1-[(2E)-2-ethylidene-5-methyl-1H-pyrrol-3-ylidene]ethanol
SMILESC/C=c1/[nH]c(C)c/c1=C(/C)O
InChIInChI=1S/C9H13NO/c1-4-9-8(7(3)11)5-6(2)10-9/h4-5,10-11H,1-3H3/b8-7+,9-4+
InChIKeyDTSOCYQHVQTVAK-UQZXCRFKSA-N
MW151.21 g/mol
LogP0.81
Rot. Bonds

About (1E)-1-[(2E)-2-ethylidene-5-methyl-1H-pyrrol-3-ylidene]ethanol

(1E)-1-[(2E)-2-ethylidene-5-methyl-1H-pyrrol-3-ylidene]ethanol (PubChem CID 143459784) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is (1E)-1-[(2E)-2-ethylidene-5-methyl-1H-pyrrol-3-ylidene]ethanol.

Molecular Properties

Compound Name(1E)-1-[(2E)-2-ethylidene-5-methyl-1H-pyrrol-3-ylidene]ethanol
PubChem CID143459784
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name(1E)-1-[(2E)-2-ethylidene-5-methyl-1H-pyrrol-3-ylidene]ethanol
SMILESC/C=c1/[nH]c(C)c/c1=C(/C)O
InChIInChI=1S/C9H13NO/c1-4-9-8(7(3)11)5-6(2)10-9/h4-5,10-11H,1-3H3/b8-7+,9-4+
InChIKeyDTSOCYQHVQTVAK-UQZXCRFKSA-N
XLogP0.81
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze (1E)-1-[(2E)-2-ethylidene-5-methyl-1H-pyrrol-3-ylidene]ethanol 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 (1E)-1-[(2E)-2-ethylidene-5-methyl-1H-pyrrol-3-ylidene]ethanol?
The IUPAC name of (1E)-1-[(2E)-2-ethylidene-5-methyl-1H-pyrrol-3-ylidene]ethanol (CID 143459784) is (1E)-1-[(2E)-2-ethylidene-5-methyl-1H-pyrrol-3-ylidene]ethanol.
What is the SMILES notation for (1E)-1-[(2E)-2-ethylidene-5-methyl-1H-pyrrol-3-ylidene]ethanol?
The canonical SMILES for (1E)-1-[(2E)-2-ethylidene-5-methyl-1H-pyrrol-3-ylidene]ethanol is C/C=c1/[nH]c(C)c/c1=C(/C)O.
What is the InChIKey of (1E)-1-[(2E)-2-ethylidene-5-methyl-1H-pyrrol-3-ylidene]ethanol?
The InChIKey is DTSOCYQHVQTVAK-UQZXCRFKSA-N. The full InChI is InChI=1S/C9H13NO/c1-4-9-8(7(3)11)5-6(2)10-9/h4-5,10-11H,1-3H3/b8-7+,9-4+.
What are the key properties of (1E)-1-[(2E)-2-ethylidene-5-methyl-1H-pyrrol-3-ylidene]ethanol?
(1E)-1-[(2E)-2-ethylidene-5-methyl-1H-pyrrol-3-ylidene]ethanol has a molecular weight of 151.21 g/mol, XLogP of 0.81, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-[(2E)-2-ethylidene-5-methyl-1H-pyrrol-3-ylidene]ethanol is sourced from PubChem (CID 143459784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).