(2,2-dimethyl-1,3-dihydroinden-5-yl)-(1-pent-4-enylindol-3-yl)methanone

C25H27NO — CID 164614068

IUPAC(2,2-dimethyl-1,3-dihydroinden-5-yl)-(1-pent-4-enylindol-3-yl)methanone
SMILESC=CCCCn1cc(C(=O)c2ccc3c(c2)CC(C)(C)C3)c2ccccc21
InChIInChI=1S/C25H27NO/c1-4-5-8-13-26-17-22(21-9-6-7-10-23(21)26)24(27)18-11-12-19-15-25(2,3)16-20(19)14-18/h4,6-7,9-12,14,17H,1,5,8,13,15-16H2,2-3H3
InChIKeyDXCWNRKMBBQZCR-UHFFFAOYSA-N
MW357.50 g/mol
LogP5.96
Rot. Bonds6

About (2,2-dimethyl-1,3-dihydroinden-5-yl)-(1-pent-4-enylindol-3-yl)methanone

(2,2-dimethyl-1,3-dihydroinden-5-yl)-(1-pent-4-enylindol-3-yl)methanone (PubChem CID 164614068) has the molecular formula C25H27NO and a molecular weight of 357.50 g/mol. Its IUPAC name is (2,2-dimethyl-1,3-dihydroinden-5-yl)-(1-pent-4-enylindol-3-yl)methanone.

Molecular Properties

Compound Name(2,2-dimethyl-1,3-dihydroinden-5-yl)-(1-pent-4-enylindol-3-yl)methanone
PubChem CID164614068
Molecular FormulaC25H27NO
Molecular Weight357.50 g/mol
Exact Mass357.21
IUPAC Name(2,2-dimethyl-1,3-dihydroinden-5-yl)-(1-pent-4-enylindol-3-yl)methanone
SMILESC=CCCCn1cc(C(=O)c2ccc3c(c2)CC(C)(C)C3)c2ccccc21
InChIInChI=1S/C25H27NO/c1-4-5-8-13-26-17-22(21-9-6-7-10-23(21)26)24(27)18-11-12-19-15-25(2,3)16-20(19)14-18/h4,6-7,9-12,14,17H,1,5,8,13,15-16H2,2-3H3
InChIKeyDXCWNRKMBBQZCR-UHFFFAOYSA-N
XLogP5.96
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.50
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2,2-dimethyl-1,3-dihydroinden-5-yl)-(1-pent-4-enylindol-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-methylphenyl)-(1-pentylindol-3-yl)methanone
CID 170857148
N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-pent-4-enylindole-3-carboxamide
CID 175427119
(4-iodophenyl)-(1-prop-2-enylindol-3-yl)methanone
CID 170857263
(1-decylindol-3-yl)-(4-iodophenyl)methanone
CID 170857204
(4-methylphenyl)-(1-propylindol-3-yl)methanone
CID 170857121
(4-methoxyphenyl)-[1-[(Z)-4-phenylbut-3-enyl]indol-3-yl]methanone
CID 122219338
1-pent-4-enylindole-3-sulfonyl chloride
CID 82914607
[1-(4-hydroxybutyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 11580465
ethyl 4-[3-(4-methoxybenzoyl)indol-1-yl]butanoate
CID 10959466
(3-iodophenyl)-[1-(3-methylbutyl)indol-3-yl]methanone
CID 170857321
1-butyl-3-(4-methoxybenzoyl)quinolin-4-one
CID 23634666
[1-[3-(2-methylphenoxy)propyl]indol-3-yl]-phenylmethanone
CID 4524878

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-1,3-dihydroinden-5-yl)-(1-pent-4-enylindol-3-yl)methanone?
The IUPAC name of (2,2-dimethyl-1,3-dihydroinden-5-yl)-(1-pent-4-enylindol-3-yl)methanone (CID 164614068) is (2,2-dimethyl-1,3-dihydroinden-5-yl)-(1-pent-4-enylindol-3-yl)methanone.
What is the SMILES notation for (2,2-dimethyl-1,3-dihydroinden-5-yl)-(1-pent-4-enylindol-3-yl)methanone?
The canonical SMILES for (2,2-dimethyl-1,3-dihydroinden-5-yl)-(1-pent-4-enylindol-3-yl)methanone is C=CCCCn1cc(C(=O)c2ccc3c(c2)CC(C)(C)C3)c2ccccc21.
What is the InChIKey of (2,2-dimethyl-1,3-dihydroinden-5-yl)-(1-pent-4-enylindol-3-yl)methanone?
The InChIKey is DXCWNRKMBBQZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO/c1-4-5-8-13-26-17-22(21-9-6-7-10-23(21)26)24(27)18-11-12-19-15-25(2,3)16-20(19)14-18/h4,6-7,9-12,14,17H,1,5,8,13,15-16H2,2-3H3.
What are the key properties of (2,2-dimethyl-1,3-dihydroinden-5-yl)-(1-pent-4-enylindol-3-yl)methanone?
(2,2-dimethyl-1,3-dihydroinden-5-yl)-(1-pent-4-enylindol-3-yl)methanone has a molecular weight of 357.50 g/mol, XLogP of 5.96, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-1,3-dihydroinden-5-yl)-(1-pent-4-enylindol-3-yl)methanone is sourced from PubChem (CID 164614068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).