1-(2,3-dihydroindol-1-yl)undecan-1-one

C19H29NO — CID 4052782

IUPAC1-(2,3-dihydroindol-1-yl)undecan-1-one
SMILESCCCCCCCCCCC(=O)N1CCc2ccccc21
InChIInChI=1S/C19H29NO/c1-2-3-4-5-6-7-8-9-14-19(21)20-16-15-17-12-10-11-13-18(17)20/h10-13H,2-9,14-16H2,1H3
InChIKeyATIPWJVTCNPFAZ-UHFFFAOYSA-N
MW287.45 g/mol
LogP5.11
Rot. Bonds9

About 1-(2,3-dihydroindol-1-yl)undecan-1-one

1-(2,3-dihydroindol-1-yl)undecan-1-one (PubChem CID 4052782) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)undecan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)undecan-1-one
PubChem CID4052782
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name1-(2,3-dihydroindol-1-yl)undecan-1-one
SMILESCCCCCCCCCCC(=O)N1CCc2ccccc21
InChIInChI=1S/C19H29NO/c1-2-3-4-5-6-7-8-9-14-19(21)20-16-15-17-12-10-11-13-18(17)20/h10-13H,2-9,14-16H2,1H3
InChIKeyATIPWJVTCNPFAZ-UHFFFAOYSA-N
XLogP5.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.45
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 3742272
1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
CID 3096475
1-[6-(2,3-dihydroindol-1-yl)-6-oxohexyl]-3-octadecylurea
CID 23574254
6-(2,3-dihydroindol-1-yl)-6-oxohexanoic acid
CID 22906002
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
1,9-bis(3,4-dihydro-2H-quinolin-1-yl)nonane-1,9-dione
CID 5158868
1-tetradecanoyl-2,3-dihydroquinolin-4-one
CID 57163991
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-pentylazanium
CID 2443776
1-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)hexan-1-one
CID 55178426
1-(4-amino-2,3-dihydroindol-1-yl)nonan-1-one
CID 65448727
N-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]acetamide
CID 47109240
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-pentylmethanesulfonamide
CID 113153451

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)undecan-1-one?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)undecan-1-one (CID 4052782) is 1-(2,3-dihydroindol-1-yl)undecan-1-one.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)undecan-1-one?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)undecan-1-one is CCCCCCCCCCC(=O)N1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)undecan-1-one?
The InChIKey is ATIPWJVTCNPFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-2-3-4-5-6-7-8-9-14-19(21)20-16-15-17-12-10-11-13-18(17)20/h10-13H,2-9,14-16H2,1H3.
What are the key properties of 1-(2,3-dihydroindol-1-yl)undecan-1-one?
1-(2,3-dihydroindol-1-yl)undecan-1-one has a molecular weight of 287.45 g/mol, XLogP of 5.11, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)undecan-1-one is sourced from PubChem (CID 4052782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).