1-[2-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]oxy]ethyl]pyridin-2-one

C16H16N2O3 — CID 107684371

IUPAC1-[2-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]oxy]ethyl]pyridin-2-one
SMILESO=c1ccccn1CCOc1ccc2c(c1)CC/C2=N/O
InChIInChI=1S/C16H16N2O3/c19-16-3-1-2-8-18(16)9-10-21-13-5-6-14-12(11-13)4-7-15(14)17-20/h1-3,5-6,8,11,20H,4,7,9-10H2/b17-15-
InChIKeyVHMDGXPWESAHHN-ICFOKQHNSA-N
MW284.31 g/mol
LogP2.05
Rot. Bonds4

About 1-[2-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]oxy]ethyl]pyridin-2-one

1-[2-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]oxy]ethyl]pyridin-2-one (PubChem CID 107684371) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is 1-[2-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]oxy]ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]oxy]ethyl]pyridin-2-one
PubChem CID107684371
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name1-[2-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]oxy]ethyl]pyridin-2-one
SMILESO=c1ccccn1CCOc1ccc2c(c1)CC/C2=N/O
InChIInChI=1S/C16H16N2O3/c19-16-3-1-2-8-18(16)9-10-21-13-5-6-14-12(11-13)4-7-15(14)17-20/h1-3,5-6,8,11,20H,4,7,9-10H2/b17-15-
InChIKeyVHMDGXPWESAHHN-ICFOKQHNSA-N
XLogP2.05
TPSA63.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

CID 9550556
CID 9550556
(NE)-N-[2-[2-(dimethylamino)ethoxy]fluoren-9-ylidene]hydroxylamine
CID 10062306
(NE)-N-[2-(2-morpholin-4-ylethoxy)fluoren-9-ylidene]hydroxylamine
CID 44322300
2,7-Bis[2-(diethylamino)ethoxy]-9H-fluoren-9-one oxime
CID 559754
2-[(9E)-9-methoxyiminofluoren-2-yl]oxy-N,N-dimethylethanamine
CID 44322424
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 71939157
2-(2,3-dihydro-1H-inden-5-yloxymethyl)pyrido[1,2-a]pyrimidin-4-one
CID 42928805
1-[2-[5-fluoro-2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]ethyl]pyridin-2-one
CID 82898857
1-[2-[4-fluoro-2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]ethyl]pyridin-2-one
CID 82898971
N-[2,7-bis[2-(diethylamino)ethoxy]fluoren-9-ylidene]hydroxylamine chloride
CID 53346999
N-[(E)-6-[(9E)-9-hydroxyiminofluoren-2-yl]oxyhex-4-enyl]-N-methylformamide
CID 88241302
N-[(Z)-6-[(9E)-9-hydroxyiminofluoren-2-yl]oxyhex-4-enyl]-N-methylformamide
CID 88241947

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]oxy]ethyl]pyridin-2-one?
The IUPAC name of 1-[2-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]oxy]ethyl]pyridin-2-one (CID 107684371) is 1-[2-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]oxy]ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]oxy]ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]oxy]ethyl]pyridin-2-one is O=c1ccccn1CCOc1ccc2c(c1)CC/C2=N/O.
What is the InChIKey of 1-[2-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]oxy]ethyl]pyridin-2-one?
The InChIKey is VHMDGXPWESAHHN-ICFOKQHNSA-N. The full InChI is InChI=1S/C16H16N2O3/c19-16-3-1-2-8-18(16)9-10-21-13-5-6-14-12(11-13)4-7-15(14)17-20/h1-3,5-6,8,11,20H,4,7,9-10H2/b17-15-.
What are the key properties of 1-[2-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]oxy]ethyl]pyridin-2-one?
1-[2-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]oxy]ethyl]pyridin-2-one has a molecular weight of 284.31 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]oxy]ethyl]pyridin-2-one is sourced from PubChem (CID 107684371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).