N-(5,6-dimethoxy-3-methyl-2,3-dihydroinden-1-ylidene)hydroxylamine

C12H15NO3 — CID 131881394

IUPACN-(5,6-dimethoxy-3-methyl-2,3-dihydroinden-1-ylidene)hydroxylamine
SMILESCOc1cc2c(cc1OC)C(C)CC2=NO
InChIInChI=1S/C12H15NO3/c1-7-4-10(13-14)9-6-12(16-3)11(15-2)5-8(7)9/h5-7,14H,4H2,1-3H3
InChIKeyFLGKTKMTJRKRHM-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.39
Rot. Bonds2

About N-(5,6-dimethoxy-3-methyl-2,3-dihydroinden-1-ylidene)hydroxylamine

N-(5,6-dimethoxy-3-methyl-2,3-dihydroinden-1-ylidene)hydroxylamine (PubChem CID 131881394) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is N-(5,6-dimethoxy-3-methyl-2,3-dihydroinden-1-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(5,6-dimethoxy-3-methyl-2,3-dihydroinden-1-ylidene)hydroxylamine
PubChem CID131881394
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC NameN-(5,6-dimethoxy-3-methyl-2,3-dihydroinden-1-ylidene)hydroxylamine
SMILESCOc1cc2c(cc1OC)C(C)CC2=NO
InChIInChI=1S/C12H15NO3/c1-7-4-10(13-14)9-6-12(16-3)11(15-2)5-8(7)9/h5-7,14H,4H2,1-3H3
InChIKeyFLGKTKMTJRKRHM-UHFFFAOYSA-N
XLogP2.39
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5,6-dimethoxy-3-methyl-2,3-dihydroinden-1-one
CID 605781
(3S)-5,6-dimethoxy-3-methyl-2,3-dihydroinden-1-one
CID 18445644
(NE)-N-(6,7-dimethoxy-2,3-dihydrochromen-4-ylidene)hydroxylamine
CID 119092048
(NE)-N-[4,5,6-trimethoxy-3-(3,4,5-trimethoxyphenyl)-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 44568039
[(8S,9S,13S,14S)-6-hydroxyimino-2-methoxy-13-methyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-3-yl] sulfamate
CID 152759241
[(6E,8S,9S,13S,14S)-13-ethyl-6-hydroxyimino-2-methoxy-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-3-yl] sulfamate
CID 87635076
(4S)-6,7-dimethoxy-4-methyl-3,4-dihydro-1H-naphthalen-2-one
CID 129406280
(NZ)-N-[3-(3,4-dimethoxyphenyl)-5,6-dimethoxy-2-methyl-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 45480891
(1S,4S)-7,8-dimethoxy-1,4-dimethyl-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 97007339
(1R,4S)-7,8-dimethoxy-1,4-dimethyl-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 97007341
5,6-dimethoxy-2,3-dihydro-1H-indene-1,2-diol
CID 71395890
3-methoxy-5,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 163922079

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethoxy-3-methyl-2,3-dihydroinden-1-ylidene)hydroxylamine?
The IUPAC name of N-(5,6-dimethoxy-3-methyl-2,3-dihydroinden-1-ylidene)hydroxylamine (CID 131881394) is N-(5,6-dimethoxy-3-methyl-2,3-dihydroinden-1-ylidene)hydroxylamine.
What is the SMILES notation for N-(5,6-dimethoxy-3-methyl-2,3-dihydroinden-1-ylidene)hydroxylamine?
The canonical SMILES for N-(5,6-dimethoxy-3-methyl-2,3-dihydroinden-1-ylidene)hydroxylamine is COc1cc2c(cc1OC)C(C)CC2=NO.
What is the InChIKey of N-(5,6-dimethoxy-3-methyl-2,3-dihydroinden-1-ylidene)hydroxylamine?
The InChIKey is FLGKTKMTJRKRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-7-4-10(13-14)9-6-12(16-3)11(15-2)5-8(7)9/h5-7,14H,4H2,1-3H3.
What are the key properties of N-(5,6-dimethoxy-3-methyl-2,3-dihydroinden-1-ylidene)hydroxylamine?
N-(5,6-dimethoxy-3-methyl-2,3-dihydroinden-1-ylidene)hydroxylamine has a molecular weight of 221.26 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethoxy-3-methyl-2,3-dihydroinden-1-ylidene)hydroxylamine is sourced from PubChem (CID 131881394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).