6-methoxy-2,2-dimethyl-8-nitro-3,9-dihydro-1H-carbazol-4-one

C15H16N2O4 — CID 134906911

IUPAC6-methoxy-2,2-dimethyl-8-nitro-3,9-dihydro-1H-carbazol-4-one
SMILESCOc1cc([N+](=O)[O-])c2[nH]c3c(c2c1)C(=O)CC(C)(C)C3
InChIInChI=1S/C15H16N2O4/c1-15(2)6-10-13(12(18)7-15)9-4-8(21-3)5-11(17(19)20)14(9)16-10/h4-5,16H,6-7H2,1-3H3
InChIKeyMBECDSAHMSEFTL-UHFFFAOYSA-N
MW288.30 g/mol
LogP3.24
Rot. Bonds2

About 6-methoxy-2,2-dimethyl-8-nitro-3,9-dihydro-1H-carbazol-4-one

6-methoxy-2,2-dimethyl-8-nitro-3,9-dihydro-1H-carbazol-4-one (PubChem CID 134906911) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 6-methoxy-2,2-dimethyl-8-nitro-3,9-dihydro-1H-carbazol-4-one.

Molecular Properties

Compound Name6-methoxy-2,2-dimethyl-8-nitro-3,9-dihydro-1H-carbazol-4-one
PubChem CID134906911
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name6-methoxy-2,2-dimethyl-8-nitro-3,9-dihydro-1H-carbazol-4-one
SMILESCOc1cc([N+](=O)[O-])c2[nH]c3c(c2c1)C(=O)CC(C)(C)C3
InChIInChI=1S/C15H16N2O4/c1-15(2)6-10-13(12(18)7-15)9-4-8(21-3)5-11(17(19)20)14(9)16-10/h4-5,16H,6-7H2,1-3H3
InChIKeyMBECDSAHMSEFTL-UHFFFAOYSA-N
XLogP3.24
TPSA85.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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CID 102417377
6-methoxy-8-nitro-2,3,4,9-tetrahydro-1H-carbazole
CID 102414836
6-methoxy-8-nitro-2-(trifluoromethyl)-1H-quinolin-4-one
CID 625643
2,2,8-trimethyl-3,9-dihydro-1H-carbazol-4-one
CID 15212802
2,2,6-trimethyl-3,9-dihydro-1H-carbazol-4-one
CID 15577770
3-(2-iodo-4-methoxy-6-nitroanilino)-5,5-dimethylcyclohex-2-en-1-one
CID 135051591
2-(5-methoxy-7-nitro-1H-indol-3-yl)ethanamine
CID 10934571
methyl 7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-4-carboxylate
CID 17229006
2-fluoro-5-methoxy-1-methyl-3-nitrobenzene
CID 118816436
6-methoxy-4-methyl-3-nitroquinoline
CID 612778
4-chloro-6-methoxy-8-nitroquinazoline
CID 104782208
1-ethyl-2,5-dimethoxy-3-nitrobenzene
CID 71106488

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2,2-dimethyl-8-nitro-3,9-dihydro-1H-carbazol-4-one?
The IUPAC name of 6-methoxy-2,2-dimethyl-8-nitro-3,9-dihydro-1H-carbazol-4-one (CID 134906911) is 6-methoxy-2,2-dimethyl-8-nitro-3,9-dihydro-1H-carbazol-4-one.
What is the SMILES notation for 6-methoxy-2,2-dimethyl-8-nitro-3,9-dihydro-1H-carbazol-4-one?
The canonical SMILES for 6-methoxy-2,2-dimethyl-8-nitro-3,9-dihydro-1H-carbazol-4-one is COc1cc([N+](=O)[O-])c2[nH]c3c(c2c1)C(=O)CC(C)(C)C3.
What is the InChIKey of 6-methoxy-2,2-dimethyl-8-nitro-3,9-dihydro-1H-carbazol-4-one?
The InChIKey is MBECDSAHMSEFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-15(2)6-10-13(12(18)7-15)9-4-8(21-3)5-11(17(19)20)14(9)16-10/h4-5,16H,6-7H2,1-3H3.
What are the key properties of 6-methoxy-2,2-dimethyl-8-nitro-3,9-dihydro-1H-carbazol-4-one?
6-methoxy-2,2-dimethyl-8-nitro-3,9-dihydro-1H-carbazol-4-one has a molecular weight of 288.30 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2,2-dimethyl-8-nitro-3,9-dihydro-1H-carbazol-4-one is sourced from PubChem (CID 134906911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).