(E)-2-methyl-3-(4-methyl-2-methylidene-1-pyridinyl)prop-2-enal

C11H13NO — CID 164910543

IUPAC(E)-2-methyl-3-(4-methyl-2-methylidene-1-pyridinyl)prop-2-enal
SMILESC=C1C=C(C)C=CN1/C=C(\C)C=O
InChIInChI=1S/C11H13NO/c1-9-4-5-12(11(3)6-9)7-10(2)8-13/h4-8H,3H2,1-2H3/b10-7+
InChIKeyFFUATMJLNHMJIJ-JXMROGBWSA-N
MW175.23 g/mol
LogP2.38
Rot. Bonds2

About (E)-2-methyl-3-(4-methyl-2-methylidene-1-pyridinyl)prop-2-enal

(E)-2-methyl-3-(4-methyl-2-methylidene-1-pyridinyl)prop-2-enal (PubChem CID 164910543) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is (E)-2-methyl-3-(4-methyl-2-methylidene-1-pyridinyl)prop-2-enal.

Molecular Properties

Compound Name(E)-2-methyl-3-(4-methyl-2-methylidene-1-pyridinyl)prop-2-enal
PubChem CID164910543
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name(E)-2-methyl-3-(4-methyl-2-methylidene-1-pyridinyl)prop-2-enal
SMILESC=C1C=C(C)C=CN1/C=C(\C)C=O
InChIInChI=1S/C11H13NO/c1-9-4-5-12(11(3)6-9)7-10(2)8-13/h4-8H,3H2,1-2H3/b10-7+
InChIKeyFFUATMJLNHMJIJ-JXMROGBWSA-N
XLogP2.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-3-(4-methyl-2-methylidene-1-pyridinyl)prop-2-enal?
The IUPAC name of (E)-2-methyl-3-(4-methyl-2-methylidene-1-pyridinyl)prop-2-enal (CID 164910543) is (E)-2-methyl-3-(4-methyl-2-methylidene-1-pyridinyl)prop-2-enal.
What is the SMILES notation for (E)-2-methyl-3-(4-methyl-2-methylidene-1-pyridinyl)prop-2-enal?
The canonical SMILES for (E)-2-methyl-3-(4-methyl-2-methylidene-1-pyridinyl)prop-2-enal is C=C1C=C(C)C=CN1/C=C(\C)C=O.
What is the InChIKey of (E)-2-methyl-3-(4-methyl-2-methylidene-1-pyridinyl)prop-2-enal?
The InChIKey is FFUATMJLNHMJIJ-JXMROGBWSA-N. The full InChI is InChI=1S/C11H13NO/c1-9-4-5-12(11(3)6-9)7-10(2)8-13/h4-8H,3H2,1-2H3/b10-7+.
What are the key properties of (E)-2-methyl-3-(4-methyl-2-methylidene-1-pyridinyl)prop-2-enal?
(E)-2-methyl-3-(4-methyl-2-methylidene-1-pyridinyl)prop-2-enal has a molecular weight of 175.23 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-3-(4-methyl-2-methylidene-1-pyridinyl)prop-2-enal is sourced from PubChem (CID 164910543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).