2,3-dihydro-1H-indole;heptan-4-one

C15H23NO — CID 174749146

IUPAC2,3-dihydro-1H-indole;heptan-4-one
SMILESCCCC(=O)CCC.c1ccc2c(c1)CCN2
InChIInChI=1S/C8H9N.C7H14O/c1-2-4-8-7(3-1)5-6-9-8;1-3-5-7(8)6-4-2/h1-4,9H,5-6H2;3-6H2,1-2H3
InChIKeyUCSOISKGICCXGR-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.81
Rot. Bonds4

About 2,3-dihydro-1H-indole;heptan-4-one

2,3-dihydro-1H-indole;heptan-4-one (PubChem CID 174749146) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 2,3-dihydro-1H-indole;heptan-4-one.

Molecular Properties

Compound Name2,3-dihydro-1H-indole;heptan-4-one
PubChem CID174749146
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name2,3-dihydro-1H-indole;heptan-4-one
SMILESCCCC(=O)CCC.c1ccc2c(c1)CCN2
InChIInChI=1S/C8H9N.C7H14O/c1-2-4-8-7(3-1)5-6-9-8;1-3-5-7(8)6-4-2/h1-4,9H,5-6H2;3-6H2,1-2H3
InChIKeyUCSOISKGICCXGR-UHFFFAOYSA-N
XLogP3.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 23296774
2,3-dihydro-1H-indole;methyl acetate
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CID 18680303
2,3-dihydro-1H-indole;N-methylformamide;propane
CID 170578965
2,3-dihydro-1H-benzimidazole;2,3-dihydro-1H-indole
CID 142166123
propanedioic acid;1,2,3,4-tetrahydroquinoline
CID 66986458
N-(2,3-dihydro-1H-indol-5-yl)butanamide
CID 63253204
2,3-dihydro-1H-indole;pyridine
CID 160958359
2,3-dihydro-1H-indole;1,2,3,4-tetrahydroisoquinoline
CID 159567822
2-bromoacetyl bromide;2-bromo-1-(2,3-dihydroindol-1-yl)ethanone;2,3-dihydro-1H-indole
CID 158779578
1H-azepine;2,3-dihydro-1H-indole
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1-(2,3-dihydro-1H-indol-5-yl)pentan-1-one
CID 39163742

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indole;heptan-4-one?
The IUPAC name of 2,3-dihydro-1H-indole;heptan-4-one (CID 174749146) is 2,3-dihydro-1H-indole;heptan-4-one.
What is the SMILES notation for 2,3-dihydro-1H-indole;heptan-4-one?
The canonical SMILES for 2,3-dihydro-1H-indole;heptan-4-one is CCCC(=O)CCC.c1ccc2c(c1)CCN2.
What is the InChIKey of 2,3-dihydro-1H-indole;heptan-4-one?
The InChIKey is UCSOISKGICCXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N.C7H14O/c1-2-4-8-7(3-1)5-6-9-8;1-3-5-7(8)6-4-2/h1-4,9H,5-6H2;3-6H2,1-2H3.
What are the key properties of 2,3-dihydro-1H-indole;heptan-4-one?
2,3-dihydro-1H-indole;heptan-4-one has a molecular weight of 233.35 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indole;heptan-4-one is sourced from PubChem (CID 174749146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).