6-methoxy-3,3-dimethyl-2-nitroso-2H-inden-1-one

C12H13NO3 — CID 91565922

IUPAC6-methoxy-3,3-dimethyl-2-nitroso-2H-inden-1-one
SMILESCOc1ccc2c(c1)C(=O)C(N=O)C2(C)C
InChIInChI=1S/C12H13NO3/c1-12(2)9-5-4-7(16-3)6-8(9)10(14)11(12)13-15/h4-6,11H,1-3H3
InChIKeyASALGNUYBICMPB-UHFFFAOYSA-N
MW219.24 g/mol
LogP2.30
Rot. Bonds2

About 6-methoxy-3,3-dimethyl-2-nitroso-2H-inden-1-one

6-methoxy-3,3-dimethyl-2-nitroso-2H-inden-1-one (PubChem CID 91565922) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 6-methoxy-3,3-dimethyl-2-nitroso-2H-inden-1-one.

Molecular Properties

Compound Name6-methoxy-3,3-dimethyl-2-nitroso-2H-inden-1-one
PubChem CID91565922
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name6-methoxy-3,3-dimethyl-2-nitroso-2H-inden-1-one
SMILESCOc1ccc2c(c1)C(=O)C(N=O)C2(C)C
InChIInChI=1S/C12H13NO3/c1-12(2)9-5-4-7(16-3)6-8(9)10(14)11(12)13-15/h4-6,11H,1-3H3
InChIKeyASALGNUYBICMPB-UHFFFAOYSA-N
XLogP2.30
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-5-methoxyindene-1,3-dione
CID 139638113
(2E)-2-hydroxyimino-6-methoxy-3,3-dimethylinden-1-one
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(1aS,7bS)-6-methoxy-2,2-dimethyl-1a,7b-dihydronaphtho[1,2-b]oxiren-3-one
CID 129383938
2-bromo-6-methoxy-4,4-dimethyl-2,3-dihydronaphthalen-1-one
CID 44726409
5-methoxy-2-[4-[4-(5-methoxy-1,3-dioxoinden-2-ylidene)cyclohexa-2,5-dien-1-ylidene]cyclohexa-2,5-dien-1-ylidene]indene-1,3-dione
CID 171734451
3-methoxy-7,7-dimethyl-8,9-dihydro-6H-benzo[7]annulen-5-one
CID 13096425
4-(2,5-dimethoxyphenyl)-4-methyloxane-2,6-dione
CID 82133552
2-iodo-7-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 11266614
(1R,2R,10S,11S)-6-methoxy-2,10-dimethyl-18-oxapentacyclo[9.6.1.02,10.03,8.012,17]octadeca-3(8),4,6,12,14,16-hexaen-9-one
CID 23255028
(4aR)-6-methoxy-1,1,4a-trimethyl-10aH-phenanthrene-2,9,10-trione
CID 10424760
3,3-diethyl-6-methoxy-2H-inden-1-one
CID 19036614
7-methoxy-1-oxo-3,4-dihydro-2H-naphthalene-2-carbaldehyde
CID 18918770

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3,3-dimethyl-2-nitroso-2H-inden-1-one?
The IUPAC name of 6-methoxy-3,3-dimethyl-2-nitroso-2H-inden-1-one (CID 91565922) is 6-methoxy-3,3-dimethyl-2-nitroso-2H-inden-1-one.
What is the SMILES notation for 6-methoxy-3,3-dimethyl-2-nitroso-2H-inden-1-one?
The canonical SMILES for 6-methoxy-3,3-dimethyl-2-nitroso-2H-inden-1-one is COc1ccc2c(c1)C(=O)C(N=O)C2(C)C.
What is the InChIKey of 6-methoxy-3,3-dimethyl-2-nitroso-2H-inden-1-one?
The InChIKey is ASALGNUYBICMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-12(2)9-5-4-7(16-3)6-8(9)10(14)11(12)13-15/h4-6,11H,1-3H3.
What are the key properties of 6-methoxy-3,3-dimethyl-2-nitroso-2H-inden-1-one?
6-methoxy-3,3-dimethyl-2-nitroso-2H-inden-1-one has a molecular weight of 219.24 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3,3-dimethyl-2-nitroso-2H-inden-1-one is sourced from PubChem (CID 91565922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).