1-[2,2-dimethyl-6-(4-nitrobenzoyl)chromen-4-yl]pyridin-2-one

C23H18N2O5 — CID 10525140

IUPAC1-[2,2-dimethyl-6-(4-nitrobenzoyl)chromen-4-yl]pyridin-2-one
SMILESCC1(C)C=C(n2ccccc2=O)c2cc(C(=O)c3ccc([N+](=O)[O-])cc3)ccc2O1
InChIInChI=1S/C23H18N2O5/c1-23(2)14-19(24-12-4-3-5-21(24)26)18-13-16(8-11-20(18)30-23)22(27)15-6-9-17(10-7-15)25(28)29/h3-14H,1-2H3
InChIKeyGOQZAPJMTCQPMS-UHFFFAOYSA-N
MW402.41 g/mol
LogP4.05
Rot. Bonds4

About 1-[2,2-dimethyl-6-(4-nitrobenzoyl)chromen-4-yl]pyridin-2-one

1-[2,2-dimethyl-6-(4-nitrobenzoyl)chromen-4-yl]pyridin-2-one (PubChem CID 10525140) has the molecular formula C23H18N2O5 and a molecular weight of 402.41 g/mol. Its IUPAC name is 1-[2,2-dimethyl-6-(4-nitrobenzoyl)chromen-4-yl]pyridin-2-one.

Molecular Properties

Compound Name1-[2,2-dimethyl-6-(4-nitrobenzoyl)chromen-4-yl]pyridin-2-one
PubChem CID10525140
Molecular FormulaC23H18N2O5
Molecular Weight402.41 g/mol
Exact Mass402.12
IUPAC Name1-[2,2-dimethyl-6-(4-nitrobenzoyl)chromen-4-yl]pyridin-2-one
SMILESCC1(C)C=C(n2ccccc2=O)c2cc(C(=O)c3ccc([N+](=O)[O-])cc3)ccc2O1
InChIInChI=1S/C23H18N2O5/c1-23(2)14-19(24-12-4-3-5-21(24)26)18-13-16(8-11-20(18)30-23)22(27)15-6-9-17(10-7-15)25(28)29/h3-14H,1-2H3
InChIKeyGOQZAPJMTCQPMS-UHFFFAOYSA-N
XLogP4.05
TPSA91.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.41
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carboxamide
CID 14182564
N-[5-bromo-1-(2,2-dimethyl-6-nitrochromen-4-yl)-6-oxo-3-pyridinyl]acetamide
CID 22122949
N-(4-methoxyphenyl)-2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromene-6-sulfonamide
CID 11112956
1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)pyridin-2-one;propanedioic acid
CID 19787857
1-[3-[[hydroxy(methyl)amino]methyl]-2,2-dimethyl-6-nitrochromen-4-yl]pyridin-2-one
CID 19387039
N-[[2,2-dimethyl-6-nitro-4-(2-oxo-1-pyridinyl)chromen-3-yl]methyl]acetamide
CID 19386875
1-(2,2-dimethylchromen-4-yl)-4-(hydroxymethyl)pyridin-2-one
CID 154246010
1-[[2,2-dimethyl-6-nitro-4-(2-oxo-1-pyridinyl)chromen-3-yl]methyl]-3-ethylurea
CID 19386977
acetic acid;(4-nitrophenyl)-phenylmethanone
CID 162340702
2,2,3-trimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carboxamide
CID 14518004
carbonic acid;(4-nitrophenyl)-phenylmethanone;hydrochloride
CID 175319577
4-[4-(4-aminophenyl)-2-oxo-1-pyridinyl]-2,2-dimethylchromene-6-carbonitrile
CID 67887923

Frequently Asked Questions

What is the IUPAC name of 1-[2,2-dimethyl-6-(4-nitrobenzoyl)chromen-4-yl]pyridin-2-one?
The IUPAC name of 1-[2,2-dimethyl-6-(4-nitrobenzoyl)chromen-4-yl]pyridin-2-one (CID 10525140) is 1-[2,2-dimethyl-6-(4-nitrobenzoyl)chromen-4-yl]pyridin-2-one.
What is the SMILES notation for 1-[2,2-dimethyl-6-(4-nitrobenzoyl)chromen-4-yl]pyridin-2-one?
The canonical SMILES for 1-[2,2-dimethyl-6-(4-nitrobenzoyl)chromen-4-yl]pyridin-2-one is CC1(C)C=C(n2ccccc2=O)c2cc(C(=O)c3ccc([N+](=O)[O-])cc3)ccc2O1.
What is the InChIKey of 1-[2,2-dimethyl-6-(4-nitrobenzoyl)chromen-4-yl]pyridin-2-one?
The InChIKey is GOQZAPJMTCQPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O5/c1-23(2)14-19(24-12-4-3-5-21(24)26)18-13-16(8-11-20(18)30-23)22(27)15-6-9-17(10-7-15)25(28)29/h3-14H,1-2H3.
What are the key properties of 1-[2,2-dimethyl-6-(4-nitrobenzoyl)chromen-4-yl]pyridin-2-one?
1-[2,2-dimethyl-6-(4-nitrobenzoyl)chromen-4-yl]pyridin-2-one has a molecular weight of 402.41 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-dimethyl-6-(4-nitrobenzoyl)chromen-4-yl]pyridin-2-one is sourced from PubChem (CID 10525140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).