2,2-dimethyl-4-(2-oxo-1-pyridinyl)-1,3-benzoxazine-6-carbaldehyde

C16H14N2O3 — CID 19816929

IUPAC2,2-dimethyl-4-(2-oxo-1-pyridinyl)-1,3-benzoxazine-6-carbaldehyde
SMILESCC1(C)N=C(n2ccccc2=O)c2cc(C=O)ccc2O1
InChIInChI=1S/C16H14N2O3/c1-16(2)17-15(18-8-4-3-5-14(18)20)12-9-11(10-19)6-7-13(12)21-16/h3-10H,1-2H3
InChIKeyNHGBDDMRLQGKCL-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.08
Rot. Bonds1

About 2,2-dimethyl-4-(2-oxo-1-pyridinyl)-1,3-benzoxazine-6-carbaldehyde

2,2-dimethyl-4-(2-oxo-1-pyridinyl)-1,3-benzoxazine-6-carbaldehyde (PubChem CID 19816929) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2,2-dimethyl-4-(2-oxo-1-pyridinyl)-1,3-benzoxazine-6-carbaldehyde.

Molecular Properties

Compound Name2,2-dimethyl-4-(2-oxo-1-pyridinyl)-1,3-benzoxazine-6-carbaldehyde
PubChem CID19816929
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name2,2-dimethyl-4-(2-oxo-1-pyridinyl)-1,3-benzoxazine-6-carbaldehyde
SMILESCC1(C)N=C(n2ccccc2=O)c2cc(C=O)ccc2O1
InChIInChI=1S/C16H14N2O3/c1-16(2)17-15(18-8-4-3-5-14(18)20)12-9-11(10-19)6-7-13(12)21-16/h3-10H,1-2H3
InChIKeyNHGBDDMRLQGKCL-UHFFFAOYSA-N
XLogP2.08
TPSA60.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 14182563
CID 14182563
CID 10063093
CID 10063093
CID 14182564
CID 14182564
CID 10733674
CID 10733674
CID 1219723
CID 1219723
CID 19816895
CID 19816895
CID 19816997
CID 19816997
CID 2307675
CID 2307675
CID 2315407
CID 2315407
CID 44009972
CID 44009972
CID 44009976
CID 44009976
CID 145916954
CID 145916954

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(2-oxo-1-pyridinyl)-1,3-benzoxazine-6-carbaldehyde?
The IUPAC name of 2,2-dimethyl-4-(2-oxo-1-pyridinyl)-1,3-benzoxazine-6-carbaldehyde (CID 19816929) is 2,2-dimethyl-4-(2-oxo-1-pyridinyl)-1,3-benzoxazine-6-carbaldehyde.
What is the SMILES notation for 2,2-dimethyl-4-(2-oxo-1-pyridinyl)-1,3-benzoxazine-6-carbaldehyde?
The canonical SMILES for 2,2-dimethyl-4-(2-oxo-1-pyridinyl)-1,3-benzoxazine-6-carbaldehyde is CC1(C)N=C(n2ccccc2=O)c2cc(C=O)ccc2O1.
What is the InChIKey of 2,2-dimethyl-4-(2-oxo-1-pyridinyl)-1,3-benzoxazine-6-carbaldehyde?
The InChIKey is NHGBDDMRLQGKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-16(2)17-15(18-8-4-3-5-14(18)20)12-9-11(10-19)6-7-13(12)21-16/h3-10H,1-2H3.
What are the key properties of 2,2-dimethyl-4-(2-oxo-1-pyridinyl)-1,3-benzoxazine-6-carbaldehyde?
2,2-dimethyl-4-(2-oxo-1-pyridinyl)-1,3-benzoxazine-6-carbaldehyde has a molecular weight of 282.30 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(2-oxo-1-pyridinyl)-1,3-benzoxazine-6-carbaldehyde is sourced from PubChem (CID 19816929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).