7-chloro-1,5-dimethyl-2-pent-4-enylindole

C15H18ClN — CID 24854600

IUPAC7-chloro-1,5-dimethyl-2-pent-4-enylindole
SMILESC=CCCCc1cc2cc(C)cc(Cl)c2n1C
InChIInChI=1S/C15H18ClN/c1-4-5-6-7-13-10-12-8-11(2)9-14(16)15(12)17(13)3/h4,8-10H,1,5-7H2,2-3H3
InChIKeyZWBDJDBQFFRPRX-UHFFFAOYSA-N
MW247.77 g/mol
LogP4.65
Rot. Bonds4

About 7-chloro-1,5-dimethyl-2-pent-4-enylindole

7-chloro-1,5-dimethyl-2-pent-4-enylindole (PubChem CID 24854600) has the molecular formula C15H18ClN and a molecular weight of 247.77 g/mol. Its IUPAC name is 7-chloro-1,5-dimethyl-2-pent-4-enylindole.

Molecular Properties

Compound Name7-chloro-1,5-dimethyl-2-pent-4-enylindole
PubChem CID24854600
Molecular FormulaC15H18ClN
Molecular Weight247.77 g/mol
Exact Mass247.11
IUPAC Name7-chloro-1,5-dimethyl-2-pent-4-enylindole
SMILESC=CCCCc1cc2cc(C)cc(Cl)c2n1C
InChIInChI=1S/C15H18ClN/c1-4-5-6-7-13-10-12-8-11(2)9-14(16)15(12)17(13)3/h4,8-10H,1,5-7H2,2-3H3
InChIKeyZWBDJDBQFFRPRX-UHFFFAOYSA-N
XLogP4.65
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.77
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 7-chloro-1,5-dimethyl-2-pent-4-enylindole 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

1,2,3,4-tetramethyl-5-pent-4-enylbenzene
CID 91583906
1-hept-6-enyl-2,3,4,5,6-pentamethylbenzene
CID 91177623
5,7-dichloro-1,2-dimethylindole
CID 155122072
6-chloro-2-methyl-3-pent-4-enylpyrimidin-4-one
CID 114581760
2-chloro-N-hept-6-enyl-5-methylaniline
CID 107634399
(7-chloro-1-methylindol-2-yl)methanethiol
CID 117183833
1-hex-5-enyl-4-(4-methylphenyl)benzene
CID 59812350
1-hept-6-enyl-2,4-dimethylbenzene
CID 91041017
3-(1,5-dimethylindol-2-yl)-N,N-dimethylpropan-1-amine
CID 170867038
1-(3-bromo-5-methylphenyl)oct-7-en-1-ol
CID 107012214
6-chloro-2-ethyl-3-hept-6-enylpyrimidin-4-one
CID 107010014
4-but-3-enyl-6-chloro-2-methylpyrimidine
CID 121205813

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1,5-dimethyl-2-pent-4-enylindole?
The IUPAC name of 7-chloro-1,5-dimethyl-2-pent-4-enylindole (CID 24854600) is 7-chloro-1,5-dimethyl-2-pent-4-enylindole.
What is the SMILES notation for 7-chloro-1,5-dimethyl-2-pent-4-enylindole?
The canonical SMILES for 7-chloro-1,5-dimethyl-2-pent-4-enylindole is C=CCCCc1cc2cc(C)cc(Cl)c2n1C.
What is the InChIKey of 7-chloro-1,5-dimethyl-2-pent-4-enylindole?
The InChIKey is ZWBDJDBQFFRPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN/c1-4-5-6-7-13-10-12-8-11(2)9-14(16)15(12)17(13)3/h4,8-10H,1,5-7H2,2-3H3.
What are the key properties of 7-chloro-1,5-dimethyl-2-pent-4-enylindole?
7-chloro-1,5-dimethyl-2-pent-4-enylindole has a molecular weight of 247.77 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1,5-dimethyl-2-pent-4-enylindole is sourced from PubChem (CID 24854600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).