2-hexadec-7-enyl-1,2-dihydroindol-3-one;naphthalene

C34H45NO — CID 70259072

IUPAC2-hexadec-7-enyl-1,2-dihydroindol-3-one;naphthalene
SMILESCCCCCCCCC=CCCCCCCC1Nc2ccccc2C1=O.c1ccc2ccccc2c1
InChIInChI=1S/C24H37NO.C10H8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-23-24(26)21-18-16-17-19-22(21)25-23;1-2-6-10-8-4-3-7-9(10)5-1/h9-10,16-19,23,25H,2-8,11-15,20H2,1H3;1-8H
InChIKeyUTQSYVWJQXCLMY-UHFFFAOYSA-N
MW483.74 g/mol
LogP10.15
Rot. Bonds14

About 2-hexadec-7-enyl-1,2-dihydroindol-3-one;naphthalene

2-hexadec-7-enyl-1,2-dihydroindol-3-one;naphthalene (PubChem CID 70259072) has the molecular formula C34H45NO and a molecular weight of 483.74 g/mol. Its IUPAC name is 2-hexadec-7-enyl-1,2-dihydroindol-3-one;naphthalene.

Molecular Properties

Compound Name2-hexadec-7-enyl-1,2-dihydroindol-3-one;naphthalene
PubChem CID70259072
Molecular FormulaC34H45NO
Molecular Weight483.74 g/mol
Exact Mass483.35
IUPAC Name2-hexadec-7-enyl-1,2-dihydroindol-3-one;naphthalene
SMILESCCCCCCCCC=CCCCCCCC1Nc2ccccc2C1=O.c1ccc2ccccc2c1
InChIInChI=1S/C24H37NO.C10H8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-23-24(26)21-18-16-17-19-22(21)25-23;1-2-6-10-8-4-3-7-9(10)5-1/h9-10,16-19,23,25H,2-8,11-15,20H2,1H3;1-8H
InChIKeyUTQSYVWJQXCLMY-UHFFFAOYSA-N
XLogP10.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.74
LogP ≤ 510.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-octadecyl-1,2-dihydroindol-3-one
CID 162846310
8-tetradecyl-7-azabicyclo[4.2.0]octa-1,3,5-triene
CID 21292499
(2R)-2-pentyl-2,3-dihydro-1H-quinolin-4-one
CID 53304941
3-hexyl-1,3-dihydroindol-2-one
CID 106986515
9-nonyl-9H-fluorene
CID 22568532
2-[(E)-dodec-5-enyl]naphthalene
CID 101304407
2-[(E)-henicos-13-enyl]naphthalene
CID 101307743
2-[(E)-docos-6-enyl]naphthalene
CID 101307769
2-[(E)-hexadec-3-enyl]naphthalene
CID 101307554
4-nonadec-10-enylidene-3-octadec-9-enyloxetan-2-one
CID 71414909
3-methyl-2-nonyl-2H-naphthalen-1-one
CID 141348039
4-[(Z)-heptadec-8-enylidene]-3-[(Z)-hexadec-7-enyl]oxetan-2-one
CID 6436618

Frequently Asked Questions

What is the IUPAC name of 2-hexadec-7-enyl-1,2-dihydroindol-3-one;naphthalene?
The IUPAC name of 2-hexadec-7-enyl-1,2-dihydroindol-3-one;naphthalene (CID 70259072) is 2-hexadec-7-enyl-1,2-dihydroindol-3-one;naphthalene.
What is the SMILES notation for 2-hexadec-7-enyl-1,2-dihydroindol-3-one;naphthalene?
The canonical SMILES for 2-hexadec-7-enyl-1,2-dihydroindol-3-one;naphthalene is CCCCCCCCC=CCCCCCCC1Nc2ccccc2C1=O.c1ccc2ccccc2c1.
What is the InChIKey of 2-hexadec-7-enyl-1,2-dihydroindol-3-one;naphthalene?
The InChIKey is UTQSYVWJQXCLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37NO.C10H8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-23-24(26)21-18-16-17-19-22(21)25-23;1-2-6-10-8-4-3-7-9(10)5-1/h9-10,16-19,23,25H,2-8,11-15,20H2,1H3;1-8H.
What are the key properties of 2-hexadec-7-enyl-1,2-dihydroindol-3-one;naphthalene?
2-hexadec-7-enyl-1,2-dihydroindol-3-one;naphthalene has a molecular weight of 483.74 g/mol, XLogP of 10.15, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexadec-7-enyl-1,2-dihydroindol-3-one;naphthalene is sourced from PubChem (CID 70259072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).