1-(2,3-dihydro-1H-inden-2-yl)-2-propylpentan-1-one

C17H24O — CID 106893002

IUPAC1-(2,3-dihydro-1H-inden-2-yl)-2-propylpentan-1-one
SMILESCCCC(CCC)C(=O)C1Cc2ccccc2C1
InChIInChI=1S/C17H24O/c1-3-7-13(8-4-2)17(18)16-11-14-9-5-6-10-15(14)12-16/h5-6,9-10,13,16H,3-4,7-8,11-12H2,1-2H3
InChIKeyWLRGXXSOPRQUAK-UHFFFAOYSA-N
MW244.38 g/mol
LogP4.19
Rot. Bonds6

About 1-(2,3-dihydro-1H-inden-2-yl)-2-propylpentan-1-one

1-(2,3-dihydro-1H-inden-2-yl)-2-propylpentan-1-one (PubChem CID 106893002) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-2-yl)-2-propylpentan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-2-yl)-2-propylpentan-1-one
PubChem CID106893002
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Name1-(2,3-dihydro-1H-inden-2-yl)-2-propylpentan-1-one
SMILESCCCC(CCC)C(=O)C1Cc2ccccc2C1
InChIInChI=1S/C17H24O/c1-3-7-13(8-4-2)17(18)16-11-14-9-5-6-10-15(14)12-16/h5-6,9-10,13,16H,3-4,7-8,11-12H2,1-2H3
InChIKeyWLRGXXSOPRQUAK-UHFFFAOYSA-N
XLogP4.19
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,3-dihydro-1H-inden-2-yl)butan-1-ol
CID 65409784
N-(1-aminopentan-2-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127262
N-(1-hydroxypropan-2-yl)-N-methyl-2,3-dihydro-1H-indene-2-carboxamide
CID 106703954
CID 174033948
CID 174033948
decyl 2,3-dihydro-1H-indene-2-carboxylate
CID 122577594
N-(4-bromobutan-2-yl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106894289
2-propylpentanoic acid;(1R)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
CID 174540330
N-heptan-4-yl-2,3-dihydro-1H-inden-2-amine
CID 104694875
N-(2-chloroethyl)-N-propyl-2,3-dihydro-1H-indene-2-carboxamide
CID 106894183
N-(1-bromobutan-2-yl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106894254
N-(3-bromobutyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106894268
N-(2-bromobutyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106894304

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-2-propylpentan-1-one?
The IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-2-propylpentan-1-one (CID 106893002) is 1-(2,3-dihydro-1H-inden-2-yl)-2-propylpentan-1-one.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-2-yl)-2-propylpentan-1-one?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-2-yl)-2-propylpentan-1-one is CCCC(CCC)C(=O)C1Cc2ccccc2C1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-2-yl)-2-propylpentan-1-one?
The InChIKey is WLRGXXSOPRQUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O/c1-3-7-13(8-4-2)17(18)16-11-14-9-5-6-10-15(14)12-16/h5-6,9-10,13,16H,3-4,7-8,11-12H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-2-yl)-2-propylpentan-1-one?
1-(2,3-dihydro-1H-inden-2-yl)-2-propylpentan-1-one has a molecular weight of 244.38 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-2-yl)-2-propylpentan-1-one is sourced from PubChem (CID 106893002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).