(5Z,6E)-6-[(Z)-3-amino-5-methylhex-2-enylidene]-5-ethylidenepyridin-2-one

C14H20N2O — CID 174348646

IUPAC(5Z,6E)-6-[(Z)-3-amino-5-methylhex-2-enylidene]-5-ethylidenepyridin-2-one
SMILESC/C=c1/ccc(=O)[nH]/c1=C/C=C(\N)CC(C)C
InChIInChI=1S/C14H20N2O/c1-4-11-5-8-14(17)16-13(11)7-6-12(15)9-10(2)3/h4-8,10H,9,15H2,1-3H3,(H,16,17)/b11-4-,12-6-,13-7+
InChIKeyDMKVTCGQEFRVCU-VMQXIFHASA-N
MW232.33 g/mol
LogP0.84
Rot. Bonds3

About (5Z,6E)-6-[(Z)-3-amino-5-methylhex-2-enylidene]-5-ethylidenepyridin-2-one

(5Z,6E)-6-[(Z)-3-amino-5-methylhex-2-enylidene]-5-ethylidenepyridin-2-one (PubChem CID 174348646) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is (5Z,6E)-6-[(Z)-3-amino-5-methylhex-2-enylidene]-5-ethylidenepyridin-2-one.

Molecular Properties

Compound Name(5Z,6E)-6-[(Z)-3-amino-5-methylhex-2-enylidene]-5-ethylidenepyridin-2-one
PubChem CID174348646
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name(5Z,6E)-6-[(Z)-3-amino-5-methylhex-2-enylidene]-5-ethylidenepyridin-2-one
SMILESC/C=c1/ccc(=O)[nH]/c1=C/C=C(\N)CC(C)C
InChIInChI=1S/C14H20N2O/c1-4-11-5-8-14(17)16-13(11)7-6-12(15)9-10(2)3/h4-8,10H,9,15H2,1-3H3,(H,16,17)/b11-4-,12-6-,13-7+
InChIKeyDMKVTCGQEFRVCU-VMQXIFHASA-N
XLogP0.84
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5Z,6E)-6-[(Z)-3-amino-5-methylhex-2-enylidene]-5-ethylidenepyridin-2-one?
The IUPAC name of (5Z,6E)-6-[(Z)-3-amino-5-methylhex-2-enylidene]-5-ethylidenepyridin-2-one (CID 174348646) is (5Z,6E)-6-[(Z)-3-amino-5-methylhex-2-enylidene]-5-ethylidenepyridin-2-one.
What is the SMILES notation for (5Z,6E)-6-[(Z)-3-amino-5-methylhex-2-enylidene]-5-ethylidenepyridin-2-one?
The canonical SMILES for (5Z,6E)-6-[(Z)-3-amino-5-methylhex-2-enylidene]-5-ethylidenepyridin-2-one is C/C=c1/ccc(=O)[nH]/c1=C/C=C(\N)CC(C)C.
What is the InChIKey of (5Z,6E)-6-[(Z)-3-amino-5-methylhex-2-enylidene]-5-ethylidenepyridin-2-one?
The InChIKey is DMKVTCGQEFRVCU-VMQXIFHASA-N. The full InChI is InChI=1S/C14H20N2O/c1-4-11-5-8-14(17)16-13(11)7-6-12(15)9-10(2)3/h4-8,10H,9,15H2,1-3H3,(H,16,17)/b11-4-,12-6-,13-7+.
What are the key properties of (5Z,6E)-6-[(Z)-3-amino-5-methylhex-2-enylidene]-5-ethylidenepyridin-2-one?
(5Z,6E)-6-[(Z)-3-amino-5-methylhex-2-enylidene]-5-ethylidenepyridin-2-one has a molecular weight of 232.33 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,6E)-6-[(Z)-3-amino-5-methylhex-2-enylidene]-5-ethylidenepyridin-2-one is sourced from PubChem (CID 174348646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).