ethane;3,6,7-trimethyl-1a,2-dihydro-1H-cyclopropa[c]indol-5-one

C14H21NO — CID 142190460

IUPACethane;3,6,7-trimethyl-1a,2-dihydro-1H-cyclopropa[c]indol-5-one
SMILESCC.CC1=C(C)C23CC2CN(C)C3=CC1=O
InChIInChI=1S/C12H15NO.C2H6/c1-7-8(2)12-5-9(12)6-13(3)11(12)4-10(7)14;1-2/h4,9H,5-6H2,1-3H3;1-2H3
InChIKeyWTGKLELFUTWJOR-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.77
Rot. Bonds

About ethane;3,6,7-trimethyl-1a,2-dihydro-1H-cyclopropa[c]indol-5-one

ethane;3,6,7-trimethyl-1a,2-dihydro-1H-cyclopropa[c]indol-5-one (PubChem CID 142190460) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is ethane;3,6,7-trimethyl-1a,2-dihydro-1H-cyclopropa[c]indol-5-one.

Molecular Properties

Compound Nameethane;3,6,7-trimethyl-1a,2-dihydro-1H-cyclopropa[c]indol-5-one
PubChem CID142190460
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Nameethane;3,6,7-trimethyl-1a,2-dihydro-1H-cyclopropa[c]indol-5-one
SMILESCC.CC1=C(C)C23CC2CN(C)C3=CC1=O
InChIInChI=1S/C12H15NO.C2H6/c1-7-8(2)12-5-9(12)6-13(3)11(12)4-10(7)14;1-2/h4,9H,5-6H2,1-3H3;1-2H3
InChIKeyWTGKLELFUTWJOR-UHFFFAOYSA-N
XLogP2.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;3,6,7-trimethyl-1a,2-dihydro-1H-cyclopropa[c]indol-5-one?
The IUPAC name of ethane;3,6,7-trimethyl-1a,2-dihydro-1H-cyclopropa[c]indol-5-one (CID 142190460) is ethane;3,6,7-trimethyl-1a,2-dihydro-1H-cyclopropa[c]indol-5-one.
What is the SMILES notation for ethane;3,6,7-trimethyl-1a,2-dihydro-1H-cyclopropa[c]indol-5-one?
The canonical SMILES for ethane;3,6,7-trimethyl-1a,2-dihydro-1H-cyclopropa[c]indol-5-one is CC.CC1=C(C)C23CC2CN(C)C3=CC1=O.
What is the InChIKey of ethane;3,6,7-trimethyl-1a,2-dihydro-1H-cyclopropa[c]indol-5-one?
The InChIKey is WTGKLELFUTWJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO.C2H6/c1-7-8(2)12-5-9(12)6-13(3)11(12)4-10(7)14;1-2/h4,9H,5-6H2,1-3H3;1-2H3.
What are the key properties of ethane;3,6,7-trimethyl-1a,2-dihydro-1H-cyclopropa[c]indol-5-one?
ethane;3,6,7-trimethyl-1a,2-dihydro-1H-cyclopropa[c]indol-5-one has a molecular weight of 219.33 g/mol, XLogP of 2.77, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3,6,7-trimethyl-1a,2-dihydro-1H-cyclopropa[c]indol-5-one is sourced from PubChem (CID 142190460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).