ethane;3-methyl-7-(2-oxopropyl)-1a,2-dihydro-1H-cyclopropa[c]indol-5-one

C17H27NO2 — CID 143030127

IUPACethane;3-methyl-7-(2-oxopropyl)-1a,2-dihydro-1H-cyclopropa[c]indol-5-one
SMILESCC.CC.CC(=O)CC1=CC(=O)C=C2N(C)CC3CC123
InChIInChI=1S/C13H15NO2.2C2H6/c1-8(15)3-9-4-11(16)5-12-13(9)6-10(13)7-14(12)2;2*1-2/h4-5,10H,3,6-7H2,1-2H3;2*1-2H3
InChIKeyOWCVYYOBOROBDH-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.36
Rot. Bonds2

About ethane;3-methyl-7-(2-oxopropyl)-1a,2-dihydro-1H-cyclopropa[c]indol-5-one

ethane;3-methyl-7-(2-oxopropyl)-1a,2-dihydro-1H-cyclopropa[c]indol-5-one (PubChem CID 143030127) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is ethane;3-methyl-7-(2-oxopropyl)-1a,2-dihydro-1H-cyclopropa[c]indol-5-one.

Molecular Properties

Compound Nameethane;3-methyl-7-(2-oxopropyl)-1a,2-dihydro-1H-cyclopropa[c]indol-5-one
PubChem CID143030127
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Nameethane;3-methyl-7-(2-oxopropyl)-1a,2-dihydro-1H-cyclopropa[c]indol-5-one
SMILESCC.CC.CC(=O)CC1=CC(=O)C=C2N(C)CC3CC123
InChIInChI=1S/C13H15NO2.2C2H6/c1-8(15)3-9-4-11(16)5-12-13(9)6-10(13)7-14(12)2;2*1-2/h4-5,10H,3,6-7H2,1-2H3;2*1-2H3
InChIKeyOWCVYYOBOROBDH-UHFFFAOYSA-N
XLogP3.36
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1a,3-dimethyl-6,7-dihydro-1H-cyclopropa[c]indole-2,5-dione
CID 138969405
(3aS,3bS,12aS)-12a-methyl-3,3a,3b,4,5,8,9,12-octahydro-2H-indeno[5,4-f]quinolizine-1,7-dione
CID 101699410
Tert-butyl 8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2(7),9-diene-11-carboxylate
CID 11012073
3,6,7-tri(propan-2-yl)-1a,2-dihydro-1H-cyclopropa[c]indol-5-one
CID 23592705
3,6,7-trimethyl-1a,2-dihydro-1H-cyclopropa[c]indol-5-one
CID 54196341
11-Acetyl-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2(7),9-dien-8-one
CID 59962442
11-Acetyl-11-azatetracyclo[8.4.0.01,13.03,8]tetradeca-3(8),9-dien-2-one
CID 59962453
6,7-dimethyl-3-propan-2-yl-1a,2-dihydro-1H-cyclopropa[c]indol-5-one
CID 68381305
6,7-ditert-butyl-3-propan-2-yl-1a,2-dihydro-1H-cyclopropa[c]indol-5-one
CID 71241889
6-ethyl-3,7-dimethyl-1a,2-dihydro-1H-cyclopropa[c]indol-5-one
CID 117768751
ethane;3,6,7-trimethyl-1a,2-dihydro-1H-cyclopropa[c]indol-5-one
CID 142190460
ethane;7-ethyl-3-methyl-1a,2-dihydro-1H-cyclopropa[c]indol-5-one
CID 143030138

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-7-(2-oxopropyl)-1a,2-dihydro-1H-cyclopropa[c]indol-5-one?
The IUPAC name of ethane;3-methyl-7-(2-oxopropyl)-1a,2-dihydro-1H-cyclopropa[c]indol-5-one (CID 143030127) is ethane;3-methyl-7-(2-oxopropyl)-1a,2-dihydro-1H-cyclopropa[c]indol-5-one.
What is the SMILES notation for ethane;3-methyl-7-(2-oxopropyl)-1a,2-dihydro-1H-cyclopropa[c]indol-5-one?
The canonical SMILES for ethane;3-methyl-7-(2-oxopropyl)-1a,2-dihydro-1H-cyclopropa[c]indol-5-one is CC.CC.CC(=O)CC1=CC(=O)C=C2N(C)CC3CC123.
What is the InChIKey of ethane;3-methyl-7-(2-oxopropyl)-1a,2-dihydro-1H-cyclopropa[c]indol-5-one?
The InChIKey is OWCVYYOBOROBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2.2C2H6/c1-8(15)3-9-4-11(16)5-12-13(9)6-10(13)7-14(12)2;2*1-2/h4-5,10H,3,6-7H2,1-2H3;2*1-2H3.
What are the key properties of ethane;3-methyl-7-(2-oxopropyl)-1a,2-dihydro-1H-cyclopropa[c]indol-5-one?
ethane;3-methyl-7-(2-oxopropyl)-1a,2-dihydro-1H-cyclopropa[c]indol-5-one has a molecular weight of 277.41 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-7-(2-oxopropyl)-1a,2-dihydro-1H-cyclopropa[c]indol-5-one is sourced from PubChem (CID 143030127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).