(5Z,6E)-6-(2-aminopropylidene)-5-prop-2-enylidenepyridin-2-one

C11H14N2O — CID 87310154

IUPAC(5Z,6E)-6-(2-aminopropylidene)-5-prop-2-enylidenepyridin-2-one
SMILESC=C/C=c1/ccc(=O)[nH]/c1=C/C(C)N
InChIInChI=1S/C11H14N2O/c1-3-4-9-5-6-11(14)13-10(9)7-8(2)12/h3-8H,1,12H2,2H3,(H,13,14)/b9-4-,10-7+
InChIKeyBYYSFRMUKGJXFT-SWSBUGGLSA-N
MW190.25 g/mol
LogP-0.53
Rot. Bonds2

About (5Z,6E)-6-(2-aminopropylidene)-5-prop-2-enylidenepyridin-2-one

(5Z,6E)-6-(2-aminopropylidene)-5-prop-2-enylidenepyridin-2-one (PubChem CID 87310154) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is (5Z,6E)-6-(2-aminopropylidene)-5-prop-2-enylidenepyridin-2-one.

Molecular Properties

Compound Name(5Z,6E)-6-(2-aminopropylidene)-5-prop-2-enylidenepyridin-2-one
PubChem CID87310154
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name(5Z,6E)-6-(2-aminopropylidene)-5-prop-2-enylidenepyridin-2-one
SMILESC=C/C=c1/ccc(=O)[nH]/c1=C/C(C)N
InChIInChI=1S/C11H14N2O/c1-3-4-9-5-6-11(14)13-10(9)7-8(2)12/h3-8H,1,12H2,2H3,(H,13,14)/b9-4-,10-7+
InChIKeyBYYSFRMUKGJXFT-SWSBUGGLSA-N
XLogP-0.53
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Aminomethyl)-4,6-dimethyl-1,2-dihydropyridin-2-one
CID 7063844
6-hydroxy-N-methylmyosmine
CID 52944012
6-hydroxy-N-methylmyosmine(1+)
CID 91820593
3-(Aminomethyl)-4,6-dimethyl-1,2-dihydropyridin-2-one hydrochloride
CID 43810451
1,2,5,6,7,8-Hexahydro-1,6-naphthyridin-2-one hydrochloride
CID 66523912
3-(Aminomethyl)-6-methyl-4-propylpyridin-2(1H)-oneacetate
CID 67124140
1H-Pyridin-2-one, 6-ethyl-
CID 182320
6-Isopropylpyridin-2(1H)-one
CID 12354335
6-(tert-Butyl)pyridin-2(1H)-one
CID 13494636
6-(2-Aminoethyl)-1,2-dihydropyridin-2-one dihydrochloride
CID 75531152
4-(Aminomethyl)-6-methyl-1,2-dihydropyridin-2-one dihydrochloride
CID 121553538
3-(Aminomethyl)-6-tert-butyl-1,2-dihydropyridin-2-one hydrochloride
CID 126809337

Frequently Asked Questions

What is the IUPAC name of (5Z,6E)-6-(2-aminopropylidene)-5-prop-2-enylidenepyridin-2-one?
The IUPAC name of (5Z,6E)-6-(2-aminopropylidene)-5-prop-2-enylidenepyridin-2-one (CID 87310154) is (5Z,6E)-6-(2-aminopropylidene)-5-prop-2-enylidenepyridin-2-one.
What is the SMILES notation for (5Z,6E)-6-(2-aminopropylidene)-5-prop-2-enylidenepyridin-2-one?
The canonical SMILES for (5Z,6E)-6-(2-aminopropylidene)-5-prop-2-enylidenepyridin-2-one is C=C/C=c1/ccc(=O)[nH]/c1=C/C(C)N.
What is the InChIKey of (5Z,6E)-6-(2-aminopropylidene)-5-prop-2-enylidenepyridin-2-one?
The InChIKey is BYYSFRMUKGJXFT-SWSBUGGLSA-N. The full InChI is InChI=1S/C11H14N2O/c1-3-4-9-5-6-11(14)13-10(9)7-8(2)12/h3-8H,1,12H2,2H3,(H,13,14)/b9-4-,10-7+.
What are the key properties of (5Z,6E)-6-(2-aminopropylidene)-5-prop-2-enylidenepyridin-2-one?
(5Z,6E)-6-(2-aminopropylidene)-5-prop-2-enylidenepyridin-2-one has a molecular weight of 190.25 g/mol, XLogP of -0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,6E)-6-(2-aminopropylidene)-5-prop-2-enylidenepyridin-2-one is sourced from PubChem (CID 87310154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).