7-methyl-8-nitro-2,4-dihydro-1H-cyclopenta[b]indol-3-one

C12H10N2O3 — CID 10609483

IUPAC7-methyl-8-nitro-2,4-dihydro-1H-cyclopenta[b]indol-3-one
SMILESCc1ccc2[nH]c3c(c2c1[N+](=O)[O-])CCC3=O
InChIInChI=1S/C12H10N2O3/c1-6-2-4-8-10(12(6)14(16)17)7-3-5-9(15)11(7)13-8/h2,4,13H,3,5H2,1H3
InChIKeyTXWWOASHKBXTFK-UHFFFAOYSA-N
MW230.22 g/mol
LogP2.51
Rot. Bonds1

About 7-methyl-8-nitro-2,4-dihydro-1H-cyclopenta[b]indol-3-one

7-methyl-8-nitro-2,4-dihydro-1H-cyclopenta[b]indol-3-one (PubChem CID 10609483) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is 7-methyl-8-nitro-2,4-dihydro-1H-cyclopenta[b]indol-3-one.

Molecular Properties

Compound Name7-methyl-8-nitro-2,4-dihydro-1H-cyclopenta[b]indol-3-one
PubChem CID10609483
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name7-methyl-8-nitro-2,4-dihydro-1H-cyclopenta[b]indol-3-one
SMILESCc1ccc2[nH]c3c(c2c1[N+](=O)[O-])CCC3=O
InChIInChI=1S/C12H10N2O3/c1-6-2-4-8-10(12(6)14(16)17)7-3-5-9(15)11(7)13-8/h2,4,13H,3,5H2,1H3
InChIKeyTXWWOASHKBXTFK-UHFFFAOYSA-N
XLogP2.51
TPSA76.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3916406
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actinium;2-(hydroxymethyl)-5-methyl-4-nitro-1H-indole-3-carbaldehyde
CID 59074574
7-methyl-8-nitro-2,3-dihydro-1H-quinolin-4-one
CID 19876009
4-hydroxy-5-methyl-3-nitro-1H-quinolin-2-one
CID 54696489
7-fluoro-2,4-dihydro-1H-cyclopenta[b]indol-3-one
CID 51052054
2-(5-methyl-4-nitro-1H-indol-3-yl)acetonitrile
CID 143201146
2,3-dimethyl-4,5-dihydro-1H-cyclopenta[b]pyrrol-6-one
CID 130006176
5,7-dimethyl-6-nitro-2,3,4,9-tetrahydro-1H-carbazole
CID 10900868
(1S)-6-methyl-7-nitro-2,3-dihydro-1H-inden-1-amine
CID 130969806
3,5-dimethyl-4-nitro-1,2-benzoxazole
CID 15561249
1-methyl-7,8-dihydro-3H-cyclopenta[e]indol-6-one
CID 129225328

Frequently Asked Questions

What is the IUPAC name of 7-methyl-8-nitro-2,4-dihydro-1H-cyclopenta[b]indol-3-one?
The IUPAC name of 7-methyl-8-nitro-2,4-dihydro-1H-cyclopenta[b]indol-3-one (CID 10609483) is 7-methyl-8-nitro-2,4-dihydro-1H-cyclopenta[b]indol-3-one.
What is the SMILES notation for 7-methyl-8-nitro-2,4-dihydro-1H-cyclopenta[b]indol-3-one?
The canonical SMILES for 7-methyl-8-nitro-2,4-dihydro-1H-cyclopenta[b]indol-3-one is Cc1ccc2[nH]c3c(c2c1[N+](=O)[O-])CCC3=O.
What is the InChIKey of 7-methyl-8-nitro-2,4-dihydro-1H-cyclopenta[b]indol-3-one?
The InChIKey is TXWWOASHKBXTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c1-6-2-4-8-10(12(6)14(16)17)7-3-5-9(15)11(7)13-8/h2,4,13H,3,5H2,1H3.
What are the key properties of 7-methyl-8-nitro-2,4-dihydro-1H-cyclopenta[b]indol-3-one?
7-methyl-8-nitro-2,4-dihydro-1H-cyclopenta[b]indol-3-one has a molecular weight of 230.22 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-8-nitro-2,4-dihydro-1H-cyclopenta[b]indol-3-one is sourced from PubChem (CID 10609483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).