6-[(E)-1-[[(Z)-but-2-enylidene]amino]pent-1-enyl]-1H-pyridin-2-one

C14H18N2O — CID 166478867

IUPAC6-[(E)-1-[[(Z)-but-2-enylidene]amino]pent-1-enyl]-1H-pyridin-2-one
SMILESC/C=C\C=N\C(=C\CCC)c1cccc(=O)[nH]1
InChIInChI=1S/C14H18N2O/c1-3-5-8-12(15-11-6-4-2)13-9-7-10-14(17)16-13/h4,6-11H,3,5H2,1-2H3,(H,16,17)/b6-4-,12-8+,15-11+
InChIKeyVXOCFIBSNOQVLX-ADRXBNSLSA-N
MW230.31 g/mol
LogP3.16
Rot. Bonds5

About 6-[(E)-1-[[(Z)-but-2-enylidene]amino]pent-1-enyl]-1H-pyridin-2-one

6-[(E)-1-[[(Z)-but-2-enylidene]amino]pent-1-enyl]-1H-pyridin-2-one (PubChem CID 166478867) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 6-[(E)-1-[[(Z)-but-2-enylidene]amino]pent-1-enyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[(E)-1-[[(Z)-but-2-enylidene]amino]pent-1-enyl]-1H-pyridin-2-one
PubChem CID166478867
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name6-[(E)-1-[[(Z)-but-2-enylidene]amino]pent-1-enyl]-1H-pyridin-2-one
SMILESC/C=C\C=N\C(=C\CCC)c1cccc(=O)[nH]1
InChIInChI=1S/C14H18N2O/c1-3-5-8-12(15-11-6-4-2)13-9-7-10-14(17)16-13/h4,6-11H,3,5H2,1-2H3,(H,16,17)/b6-4-,12-8+,15-11+
InChIKeyVXOCFIBSNOQVLX-ADRXBNSLSA-N
XLogP3.16
TPSA45.22 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-[(E)-1-[[(Z)-but-2-enylidene]amino]pent-1-enyl]-1H-pyridin-2-one with MolForge

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Related Compounds

ethyl-[6-methyl-5-[(1Z,3E)-1-(methylideneamino)penta-1,3-dien-3-yl]-2-oxo-1H-pyridin-3-yl]azanium
CID 91327061
N-(3-ethylcyclohexa-1,3-dien-1-yl)-3,4-dihydropyridine-6-carboxamide
CID 123154970
ethane;(6E)-5-methylidene-6-(2-methylprop-2-enylidene)pyrazin-2-one
CID 143759956
Ethane;7-methyl-4,8-dihydrocyclohepta[b]pyrazin-3-one
CID 143807041
N-[(E,1E)-1-(3H-pyridin-4-ylidene)pent-2-en-2-yl]acetamide
CID 159964166
(Z)-2-[[(Z)-hex-2-enylidene]amino]-N-pentan-3-ylbut-2-enamide
CID 166981310
3-amino-6-methyl-4-(methyliminomethyl)-1H-pyridin-2-one
CID 168895543
1,5-Dihydropyrido[2,3-c]azepin-2-one;hydrochloride
CID 170312438
1,5-Dihydropyrido[2,3-c]azepin-2-one
CID 170312439
1-[(Z)-2-amino-4-methyliminobut-2-enyl]-4-propan-2-ylpyridin-2-one
CID 172336109
(Z,4E)-N-ethyl-2-(methylideneamino)-4-(3H-pyridin-4-ylidene)but-2-enamide
CID 172375811

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-1-[[(Z)-but-2-enylidene]amino]pent-1-enyl]-1H-pyridin-2-one?
The IUPAC name of 6-[(E)-1-[[(Z)-but-2-enylidene]amino]pent-1-enyl]-1H-pyridin-2-one (CID 166478867) is 6-[(E)-1-[[(Z)-but-2-enylidene]amino]pent-1-enyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-[(E)-1-[[(Z)-but-2-enylidene]amino]pent-1-enyl]-1H-pyridin-2-one?
The canonical SMILES for 6-[(E)-1-[[(Z)-but-2-enylidene]amino]pent-1-enyl]-1H-pyridin-2-one is C/C=C\C=N\C(=C\CCC)c1cccc(=O)[nH]1.
What is the InChIKey of 6-[(E)-1-[[(Z)-but-2-enylidene]amino]pent-1-enyl]-1H-pyridin-2-one?
The InChIKey is VXOCFIBSNOQVLX-ADRXBNSLSA-N. The full InChI is InChI=1S/C14H18N2O/c1-3-5-8-12(15-11-6-4-2)13-9-7-10-14(17)16-13/h4,6-11H,3,5H2,1-2H3,(H,16,17)/b6-4-,12-8+,15-11+.
What are the key properties of 6-[(E)-1-[[(Z)-but-2-enylidene]amino]pent-1-enyl]-1H-pyridin-2-one?
6-[(E)-1-[[(Z)-but-2-enylidene]amino]pent-1-enyl]-1H-pyridin-2-one has a molecular weight of 230.31 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-1-[[(Z)-but-2-enylidene]amino]pent-1-enyl]-1H-pyridin-2-one is sourced from PubChem (CID 166478867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).