3-[(Z)-3-methylbut-1-enyl]-4-(methylideneamino)-1H-pyridin-2-one

C11H14N2O — CID 156518529

IUPAC3-[(Z)-3-methylbut-1-enyl]-4-(methylideneamino)-1H-pyridin-2-one
SMILESC=Nc1cc[nH]c(=O)c1/C=C\C(C)C
InChIInChI=1S/C11H14N2O/c1-8(2)4-5-9-10(12-3)6-7-13-11(9)14/h4-8H,3H2,1-2H3,(H,13,14)/b5-4-
InChIKeyQCWPBVLNTVZMKU-PLNGDYQASA-N
MW190.25 g/mol
LogP2.38
Rot. Bonds3

About 3-[(Z)-3-methylbut-1-enyl]-4-(methylideneamino)-1H-pyridin-2-one

3-[(Z)-3-methylbut-1-enyl]-4-(methylideneamino)-1H-pyridin-2-one (PubChem CID 156518529) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 3-[(Z)-3-methylbut-1-enyl]-4-(methylideneamino)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[(Z)-3-methylbut-1-enyl]-4-(methylideneamino)-1H-pyridin-2-one
PubChem CID156518529
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name3-[(Z)-3-methylbut-1-enyl]-4-(methylideneamino)-1H-pyridin-2-one
SMILESC=Nc1cc[nH]c(=O)c1/C=C\C(C)C
InChIInChI=1S/C11H14N2O/c1-8(2)4-5-9-10(12-3)6-7-13-11(9)14/h4-8H,3H2,1-2H3,(H,13,14)/b5-4-
InChIKeyQCWPBVLNTVZMKU-PLNGDYQASA-N
XLogP2.38
TPSA45.22 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-3-methylbut-1-enyl]-4-(methylideneamino)-1H-pyridin-2-one?
The IUPAC name of 3-[(Z)-3-methylbut-1-enyl]-4-(methylideneamino)-1H-pyridin-2-one (CID 156518529) is 3-[(Z)-3-methylbut-1-enyl]-4-(methylideneamino)-1H-pyridin-2-one.
What is the SMILES notation for 3-[(Z)-3-methylbut-1-enyl]-4-(methylideneamino)-1H-pyridin-2-one?
The canonical SMILES for 3-[(Z)-3-methylbut-1-enyl]-4-(methylideneamino)-1H-pyridin-2-one is C=Nc1cc[nH]c(=O)c1/C=C\C(C)C.
What is the InChIKey of 3-[(Z)-3-methylbut-1-enyl]-4-(methylideneamino)-1H-pyridin-2-one?
The InChIKey is QCWPBVLNTVZMKU-PLNGDYQASA-N. The full InChI is InChI=1S/C11H14N2O/c1-8(2)4-5-9-10(12-3)6-7-13-11(9)14/h4-8H,3H2,1-2H3,(H,13,14)/b5-4-.
What are the key properties of 3-[(Z)-3-methylbut-1-enyl]-4-(methylideneamino)-1H-pyridin-2-one?
3-[(Z)-3-methylbut-1-enyl]-4-(methylideneamino)-1H-pyridin-2-one has a molecular weight of 190.25 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-3-methylbut-1-enyl]-4-(methylideneamino)-1H-pyridin-2-one is sourced from PubChem (CID 156518529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).