1-(2,2-dimethyl-6-nitrochromen-4-yl)pyridin-2-one

C16H14N2O4 — CID 14182606

IUPAC1-(2,2-dimethyl-6-nitrochromen-4-yl)pyridin-2-one
SMILESCC1(C)C=C(n2ccccc2=O)c2cc([N+](=O)[O-])ccc2O1
InChIInChI=1S/C16H14N2O4/c1-16(2)10-13(17-8-4-3-5-15(17)19)12-9-11(18(20)21)6-7-14(12)22-16/h3-10H,1-2H3
InChIKeyDFCBXKCQXBAPOV-UHFFFAOYSA-N
MW298.30 g/mol
LogP2.82
Rot. Bonds2

About 1-(2,2-dimethyl-6-nitrochromen-4-yl)pyridin-2-one

1-(2,2-dimethyl-6-nitrochromen-4-yl)pyridin-2-one (PubChem CID 14182606) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is 1-(2,2-dimethyl-6-nitrochromen-4-yl)pyridin-2-one.

Molecular Properties

Compound Name1-(2,2-dimethyl-6-nitrochromen-4-yl)pyridin-2-one
PubChem CID14182606
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Name1-(2,2-dimethyl-6-nitrochromen-4-yl)pyridin-2-one
SMILESCC1(C)C=C(n2ccccc2=O)c2cc([N+](=O)[O-])ccc2O1
InChIInChI=1S/C16H14N2O4/c1-16(2)10-13(17-8-4-3-5-15(17)19)12-9-11(18(20)21)6-7-14(12)22-16/h3-10H,1-2H3
InChIKeyDFCBXKCQXBAPOV-UHFFFAOYSA-N
XLogP2.82
TPSA74.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyl-6-nitrochromen-4-yl)pyridin-2-one?
The IUPAC name of 1-(2,2-dimethyl-6-nitrochromen-4-yl)pyridin-2-one (CID 14182606) is 1-(2,2-dimethyl-6-nitrochromen-4-yl)pyridin-2-one.
What is the SMILES notation for 1-(2,2-dimethyl-6-nitrochromen-4-yl)pyridin-2-one?
The canonical SMILES for 1-(2,2-dimethyl-6-nitrochromen-4-yl)pyridin-2-one is CC1(C)C=C(n2ccccc2=O)c2cc([N+](=O)[O-])ccc2O1.
What is the InChIKey of 1-(2,2-dimethyl-6-nitrochromen-4-yl)pyridin-2-one?
The InChIKey is DFCBXKCQXBAPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4/c1-16(2)10-13(17-8-4-3-5-15(17)19)12-9-11(18(20)21)6-7-14(12)22-16/h3-10H,1-2H3.
What are the key properties of 1-(2,2-dimethyl-6-nitrochromen-4-yl)pyridin-2-one?
1-(2,2-dimethyl-6-nitrochromen-4-yl)pyridin-2-one has a molecular weight of 298.30 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyl-6-nitrochromen-4-yl)pyridin-2-one is sourced from PubChem (CID 14182606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).