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

C16H27NO — CID 143030138

IUPACethane;7-ethyl-3-methyl-1a,2-dihydro-1H-cyclopropa[c]indol-5-one
SMILESCC.CC.CCC1=CC(=O)C=C2N(C)CC3CC123
InChIInChI=1S/C12H15NO.2C2H6/c1-3-8-4-10(14)5-11-12(8)6-9(12)7-13(11)2;2*1-2/h4-5,9H,3,6-7H2,1-2H3;2*1-2H3
InChIKeyAMBVMGFOCXXVIU-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.79
Rot. Bonds1

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

ethane;7-ethyl-3-methyl-1a,2-dihydro-1H-cyclopropa[c]indol-5-one (PubChem CID 143030138) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is ethane;7-ethyl-3-methyl-1a,2-dihydro-1H-cyclopropa[c]indol-5-one.

Molecular Properties

Compound Nameethane;7-ethyl-3-methyl-1a,2-dihydro-1H-cyclopropa[c]indol-5-one
PubChem CID143030138
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Nameethane;7-ethyl-3-methyl-1a,2-dihydro-1H-cyclopropa[c]indol-5-one
SMILESCC.CC.CCC1=CC(=O)C=C2N(C)CC3CC123
InChIInChI=1S/C12H15NO.2C2H6/c1-3-8-4-10(14)5-11-12(8)6-9(12)7-13(11)2;2*1-2/h4-5,9H,3,6-7H2,1-2H3;2*1-2H3
InChIKeyAMBVMGFOCXXVIU-UHFFFAOYSA-N
XLogP3.79
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;7-ethyl-3-methyl-1a,2-dihydro-1H-cyclopropa[c]indol-5-one?
The IUPAC name of ethane;7-ethyl-3-methyl-1a,2-dihydro-1H-cyclopropa[c]indol-5-one (CID 143030138) is ethane;7-ethyl-3-methyl-1a,2-dihydro-1H-cyclopropa[c]indol-5-one.
What is the SMILES notation for ethane;7-ethyl-3-methyl-1a,2-dihydro-1H-cyclopropa[c]indol-5-one?
The canonical SMILES for ethane;7-ethyl-3-methyl-1a,2-dihydro-1H-cyclopropa[c]indol-5-one is CC.CC.CCC1=CC(=O)C=C2N(C)CC3CC123.
What is the InChIKey of ethane;7-ethyl-3-methyl-1a,2-dihydro-1H-cyclopropa[c]indol-5-one?
The InChIKey is AMBVMGFOCXXVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO.2C2H6/c1-3-8-4-10(14)5-11-12(8)6-9(12)7-13(11)2;2*1-2/h4-5,9H,3,6-7H2,1-2H3;2*1-2H3.
What are the key properties of ethane;7-ethyl-3-methyl-1a,2-dihydro-1H-cyclopropa[c]indol-5-one?
ethane;7-ethyl-3-methyl-1a,2-dihydro-1H-cyclopropa[c]indol-5-one has a molecular weight of 249.40 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-ethyl-3-methyl-1a,2-dihydro-1H-cyclopropa[c]indol-5-one is sourced from PubChem (CID 143030138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).