(3E,4E)-4-(1-amino-2-methylprop-2-enylidene)-3-ethylidene-1H-pyridin-2-one

C11H14N2O — CID 88853622

IUPAC(3E,4E)-4-(1-amino-2-methylprop-2-enylidene)-3-ethylidene-1H-pyridin-2-one
SMILESC=C(C)/C(N)=c1\cc[nH]c(=O)\c1=C\C
InChIInChI=1S/C11H14N2O/c1-4-8-9(10(12)7(2)3)5-6-13-11(8)14/h4-6H,2,12H2,1,3H3,(H,13,14)/b8-4+,10-9+
InChIKeyCCNZQXHBTCZQCO-OOOLMBCVSA-N
MW190.25 g/mol
LogP-0.18
Rot. Bonds1

About (3E,4E)-4-(1-amino-2-methylprop-2-enylidene)-3-ethylidene-1H-pyridin-2-one

(3E,4E)-4-(1-amino-2-methylprop-2-enylidene)-3-ethylidene-1H-pyridin-2-one (PubChem CID 88853622) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is (3E,4E)-4-(1-amino-2-methylprop-2-enylidene)-3-ethylidene-1H-pyridin-2-one.

Molecular Properties

Compound Name(3E,4E)-4-(1-amino-2-methylprop-2-enylidene)-3-ethylidene-1H-pyridin-2-one
PubChem CID88853622
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name(3E,4E)-4-(1-amino-2-methylprop-2-enylidene)-3-ethylidene-1H-pyridin-2-one
SMILESC=C(C)/C(N)=c1\cc[nH]c(=O)\c1=C\C
InChIInChI=1S/C11H14N2O/c1-4-8-9(10(12)7(2)3)5-6-13-11(8)14/h4-6H,2,12H2,1,3H3,(H,13,14)/b8-4+,10-9+
InChIKeyCCNZQXHBTCZQCO-OOOLMBCVSA-N
XLogP-0.18
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3E,4E)-4-(1-amino-2-methylprop-2-enylidene)-3-ethylidene-1H-pyridin-2-one?
The IUPAC name of (3E,4E)-4-(1-amino-2-methylprop-2-enylidene)-3-ethylidene-1H-pyridin-2-one (CID 88853622) is (3E,4E)-4-(1-amino-2-methylprop-2-enylidene)-3-ethylidene-1H-pyridin-2-one.
What is the SMILES notation for (3E,4E)-4-(1-amino-2-methylprop-2-enylidene)-3-ethylidene-1H-pyridin-2-one?
The canonical SMILES for (3E,4E)-4-(1-amino-2-methylprop-2-enylidene)-3-ethylidene-1H-pyridin-2-one is C=C(C)/C(N)=c1\cc[nH]c(=O)\c1=C\C.
What is the InChIKey of (3E,4E)-4-(1-amino-2-methylprop-2-enylidene)-3-ethylidene-1H-pyridin-2-one?
The InChIKey is CCNZQXHBTCZQCO-OOOLMBCVSA-N. The full InChI is InChI=1S/C11H14N2O/c1-4-8-9(10(12)7(2)3)5-6-13-11(8)14/h4-6H,2,12H2,1,3H3,(H,13,14)/b8-4+,10-9+.
What are the key properties of (3E,4E)-4-(1-amino-2-methylprop-2-enylidene)-3-ethylidene-1H-pyridin-2-one?
(3E,4E)-4-(1-amino-2-methylprop-2-enylidene)-3-ethylidene-1H-pyridin-2-one has a molecular weight of 190.25 g/mol, XLogP of -0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,4E)-4-(1-amino-2-methylprop-2-enylidene)-3-ethylidene-1H-pyridin-2-one is sourced from PubChem (CID 88853622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).