2-(2-ethylcyclopropyl)-2,3-dihydroinden-1-one

C14H16O — CID 123722832

IUPAC2-(2-ethylcyclopropyl)-2,3-dihydroinden-1-one
SMILESCCC1CC1C1Cc2ccccc2C1=O
InChIInChI=1S/C14H16O/c1-2-9-7-12(9)13-8-10-5-3-4-6-11(10)14(13)15/h3-6,9,12-13H,2,7-8H2,1H3
InChIKeyHCVZQQDOPKHBQZ-UHFFFAOYSA-N
MW200.28 g/mol
LogP3.09
Rot. Bonds2

About 2-(2-ethylcyclopropyl)-2,3-dihydroinden-1-one

2-(2-ethylcyclopropyl)-2,3-dihydroinden-1-one (PubChem CID 123722832) has the molecular formula C14H16O and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-(2-ethylcyclopropyl)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name2-(2-ethylcyclopropyl)-2,3-dihydroinden-1-one
PubChem CID123722832
Molecular FormulaC14H16O
Molecular Weight200.28 g/mol
Exact Mass200.12
IUPAC Name2-(2-ethylcyclopropyl)-2,3-dihydroinden-1-one
SMILESCCC1CC1C1Cc2ccccc2C1=O
InChIInChI=1S/C14H16O/c1-2-9-7-12(9)13-8-10-5-3-4-6-11(10)14(13)15/h3-6,9,12-13H,2,7-8H2,1H3
InChIKeyHCVZQQDOPKHBQZ-UHFFFAOYSA-N
XLogP3.09
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

CID 59773716
CID 59773716
(2S)-2-methyl-2,3-dihydroinden-1-one
CID 6994407
4,4a,9,9a-tetrahydro-3H-anthracene-1,2,10-trione
CID 123667942
(2R)-2-[[(2R)-3-oxo-1,2-dihydroinden-2-yl]methyl]-2,3-dihydroinden-1-one
CID 910021
2-(1-fluorobutyl)-2,3-dihydroinden-1-one
CID 137380205
2-methyl-3-pentyl-3,4-dihydro-2H-naphthalen-1-one
CID 161415157
(2R)-2-hydroxy-2,3-dihydroinden-1-one
CID 11137320
2-[(4-ethylphenyl)methyl]-2,3-dihydroinden-1-one
CID 15544001
2,3-diethoxy-3,4-dihydro-2H-naphthalen-1-one
CID 70423152
2-(difluoromethyl)-2,3-dihydroinden-1-one
CID 122371695
2-(methoxymethyl)-2,3-dihydroinden-1-one
CID 71409050
(3S)-3-ethyl-3,4-dihydro-2H-isoquinolin-1-one
CID 92977970

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylcyclopropyl)-2,3-dihydroinden-1-one?
The IUPAC name of 2-(2-ethylcyclopropyl)-2,3-dihydroinden-1-one (CID 123722832) is 2-(2-ethylcyclopropyl)-2,3-dihydroinden-1-one.
What is the SMILES notation for 2-(2-ethylcyclopropyl)-2,3-dihydroinden-1-one?
The canonical SMILES for 2-(2-ethylcyclopropyl)-2,3-dihydroinden-1-one is CCC1CC1C1Cc2ccccc2C1=O.
What is the InChIKey of 2-(2-ethylcyclopropyl)-2,3-dihydroinden-1-one?
The InChIKey is HCVZQQDOPKHBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O/c1-2-9-7-12(9)13-8-10-5-3-4-6-11(10)14(13)15/h3-6,9,12-13H,2,7-8H2,1H3.
What are the key properties of 2-(2-ethylcyclopropyl)-2,3-dihydroinden-1-one?
2-(2-ethylcyclopropyl)-2,3-dihydroinden-1-one has a molecular weight of 200.28 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylcyclopropyl)-2,3-dihydroinden-1-one is sourced from PubChem (CID 123722832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).