4-(5-methoxy-6-nitroso-2,3-dihydro-1H-inden-1-yl)-1-pyrrolidin-1-ylbutan-2-one

C18H24N2O3 — CID 91235220

IUPAC4-(5-methoxy-6-nitroso-2,3-dihydro-1H-inden-1-yl)-1-pyrrolidin-1-ylbutan-2-one
SMILESCOc1cc2c(cc1N=O)C(CCC(=O)CN1CCCC1)CC2
InChIInChI=1S/C18H24N2O3/c1-23-18-10-14-5-4-13(16(14)11-17(18)19-22)6-7-15(21)12-20-8-2-3-9-20/h10-11,13H,2-9,12H2,1H3
InChIKeyHXWDUHKFNPBWNJ-UHFFFAOYSA-N
MW316.40 g/mol
LogP3.57
Rot. Bonds7

About 4-(5-methoxy-6-nitroso-2,3-dihydro-1H-inden-1-yl)-1-pyrrolidin-1-ylbutan-2-one

4-(5-methoxy-6-nitroso-2,3-dihydro-1H-inden-1-yl)-1-pyrrolidin-1-ylbutan-2-one (PubChem CID 91235220) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 4-(5-methoxy-6-nitroso-2,3-dihydro-1H-inden-1-yl)-1-pyrrolidin-1-ylbutan-2-one.

Molecular Properties

Compound Name4-(5-methoxy-6-nitroso-2,3-dihydro-1H-inden-1-yl)-1-pyrrolidin-1-ylbutan-2-one
PubChem CID91235220
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name4-(5-methoxy-6-nitroso-2,3-dihydro-1H-inden-1-yl)-1-pyrrolidin-1-ylbutan-2-one
SMILESCOc1cc2c(cc1N=O)C(CCC(=O)CN1CCCC1)CC2
InChIInChI=1S/C18H24N2O3/c1-23-18-10-14-5-4-13(16(14)11-17(18)19-22)6-7-15(21)12-20-8-2-3-9-20/h10-11,13H,2-9,12H2,1H3
InChIKeyHXWDUHKFNPBWNJ-UHFFFAOYSA-N
XLogP3.57
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(5-methoxy-6-nitroso-2,3-dihydro-1H-inden-1-yl)-1-pyrrolidin-1-ylbutan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-1-pyrrolidin-1-ylethanone
CID 25146025
2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-1-piperidin-1-ylethanone
CID 25145905
2-[2-(cyclooctanecarbonyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid
CID 120538376
2-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid
CID 39098425
(2R)-2-[(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]-1-methylpyrrolidine
CID 178102587
2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-methylacetamide
CID 25147351
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-one
CID 118720491
2-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetic acid
CID 3130309
2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 110649068
2-[2-(1,1-dioxothiolane-2-carbonyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid
CID 136551493
2-[2-(2-cycloheptylacetyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid
CID 120538401
2-[2-(2-cyclopentylideneacetyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid
CID 167836842

Frequently Asked Questions

What is the IUPAC name of 4-(5-methoxy-6-nitroso-2,3-dihydro-1H-inden-1-yl)-1-pyrrolidin-1-ylbutan-2-one?
The IUPAC name of 4-(5-methoxy-6-nitroso-2,3-dihydro-1H-inden-1-yl)-1-pyrrolidin-1-ylbutan-2-one (CID 91235220) is 4-(5-methoxy-6-nitroso-2,3-dihydro-1H-inden-1-yl)-1-pyrrolidin-1-ylbutan-2-one.
What is the SMILES notation for 4-(5-methoxy-6-nitroso-2,3-dihydro-1H-inden-1-yl)-1-pyrrolidin-1-ylbutan-2-one?
The canonical SMILES for 4-(5-methoxy-6-nitroso-2,3-dihydro-1H-inden-1-yl)-1-pyrrolidin-1-ylbutan-2-one is COc1cc2c(cc1N=O)C(CCC(=O)CN1CCCC1)CC2.
What is the InChIKey of 4-(5-methoxy-6-nitroso-2,3-dihydro-1H-inden-1-yl)-1-pyrrolidin-1-ylbutan-2-one?
The InChIKey is HXWDUHKFNPBWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-23-18-10-14-5-4-13(16(14)11-17(18)19-22)6-7-15(21)12-20-8-2-3-9-20/h10-11,13H,2-9,12H2,1H3.
What are the key properties of 4-(5-methoxy-6-nitroso-2,3-dihydro-1H-inden-1-yl)-1-pyrrolidin-1-ylbutan-2-one?
4-(5-methoxy-6-nitroso-2,3-dihydro-1H-inden-1-yl)-1-pyrrolidin-1-ylbutan-2-one has a molecular weight of 316.40 g/mol, XLogP of 3.57, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methoxy-6-nitroso-2,3-dihydro-1H-inden-1-yl)-1-pyrrolidin-1-ylbutan-2-one is sourced from PubChem (CID 91235220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).