(2E)-2-(3-methylidene-4-pyridinylidene)but-3-en-1-ol

C10H11NO — CID 156839254

IUPAC(2E)-2-(3-methylidene-4-pyridinylidene)but-3-en-1-ol
SMILESC=C/C(CO)=c1/ccncc1=C
InChIInChI=1S/C10H11NO/c1-3-9(7-12)10-4-5-11-6-8(10)2/h3-6,12H,1-2,7H2/b10-9+
InChIKeyHRLPHGXSBGPHDR-MDZDMXLPSA-N
MW161.20 g/mol
LogP-0.18
Rot. Bonds2

About (2E)-2-(3-methylidene-4-pyridinylidene)but-3-en-1-ol

(2E)-2-(3-methylidene-4-pyridinylidene)but-3-en-1-ol (PubChem CID 156839254) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is (2E)-2-(3-methylidene-4-pyridinylidene)but-3-en-1-ol.

Molecular Properties

Compound Name(2E)-2-(3-methylidene-4-pyridinylidene)but-3-en-1-ol
PubChem CID156839254
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name(2E)-2-(3-methylidene-4-pyridinylidene)but-3-en-1-ol
SMILESC=C/C(CO)=c1/ccncc1=C
InChIInChI=1S/C10H11NO/c1-3-9(7-12)10-4-5-11-6-8(10)2/h3-6,12H,1-2,7H2/b10-9+
InChIKeyHRLPHGXSBGPHDR-MDZDMXLPSA-N
XLogP-0.18
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-(3-methylidene-4-pyridinylidene)but-3-en-1-ol?
The IUPAC name of (2E)-2-(3-methylidene-4-pyridinylidene)but-3-en-1-ol (CID 156839254) is (2E)-2-(3-methylidene-4-pyridinylidene)but-3-en-1-ol.
What is the SMILES notation for (2E)-2-(3-methylidene-4-pyridinylidene)but-3-en-1-ol?
The canonical SMILES for (2E)-2-(3-methylidene-4-pyridinylidene)but-3-en-1-ol is C=C/C(CO)=c1/ccncc1=C.
What is the InChIKey of (2E)-2-(3-methylidene-4-pyridinylidene)but-3-en-1-ol?
The InChIKey is HRLPHGXSBGPHDR-MDZDMXLPSA-N. The full InChI is InChI=1S/C10H11NO/c1-3-9(7-12)10-4-5-11-6-8(10)2/h3-6,12H,1-2,7H2/b10-9+.
What are the key properties of (2E)-2-(3-methylidene-4-pyridinylidene)but-3-en-1-ol?
(2E)-2-(3-methylidene-4-pyridinylidene)but-3-en-1-ol has a molecular weight of 161.20 g/mol, XLogP of -0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(3-methylidene-4-pyridinylidene)but-3-en-1-ol is sourced from PubChem (CID 156839254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).