6-but-1-en-2-yl-1-butyl-5-chloro-3,3-dimethyl-2-methylideneindole

C19H26ClN — CID 156547856

IUPAC6-but-1-en-2-yl-1-butyl-5-chloro-3,3-dimethyl-2-methylideneindole
SMILESC=C(CC)c1cc2c(cc1Cl)C(C)(C)C(=C)N2CCCC
InChIInChI=1S/C19H26ClN/c1-7-9-10-21-14(4)19(5,6)16-12-17(20)15(11-18(16)21)13(3)8-2/h11-12H,3-4,7-10H2,1-2,5-6H3
InChIKeyFKIMTACOFHCMDH-UHFFFAOYSA-N
MW303.88 g/mol
LogP6.17
Rot. Bonds5

About 6-but-1-en-2-yl-1-butyl-5-chloro-3,3-dimethyl-2-methylideneindole

6-but-1-en-2-yl-1-butyl-5-chloro-3,3-dimethyl-2-methylideneindole (PubChem CID 156547856) has the molecular formula C19H26ClN and a molecular weight of 303.88 g/mol. Its IUPAC name is 6-but-1-en-2-yl-1-butyl-5-chloro-3,3-dimethyl-2-methylideneindole.

Molecular Properties

Compound Name6-but-1-en-2-yl-1-butyl-5-chloro-3,3-dimethyl-2-methylideneindole
PubChem CID156547856
Molecular FormulaC19H26ClN
Molecular Weight303.88 g/mol
Exact Mass303.18
IUPAC Name6-but-1-en-2-yl-1-butyl-5-chloro-3,3-dimethyl-2-methylideneindole
SMILESC=C(CC)c1cc2c(cc1Cl)C(C)(C)C(=C)N2CCCC
InChIInChI=1S/C19H26ClN/c1-7-9-10-21-14(4)19(5,6)16-12-17(20)15(11-18(16)21)13(3)8-2/h11-12H,3-4,7-10H2,1-2,5-6H3
InChIKeyFKIMTACOFHCMDH-UHFFFAOYSA-N
XLogP6.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.88
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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5-chloro-3,3-diethyl-2-oxo-1-[2-(propanoylamino)ethyl]-N-propan-2-ylindole-6-carboxamide
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(3R)-1-butyl-3-chloro-3-methylquinoline-2,4-dione
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1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3,3,5-trimethyl-2-methylideneindole
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N-[4-[(3,3-dimethyl-2-methylidene-1-propylindol-5-yl)-[4-[(2,2,2-trifluoroacetyl)amino]butoxy]phosphoryl]oxybutyl]-2,2,2-trifluoroacetamide
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1-butyl-2-[2-[3-[2-(1-butyl-5,6-dimethoxy-3,3-dimethylindol-1-ium-2-yl)ethenyl]-2-chlorocyclohex-2-en-1-ylidene]ethylidene]-5,6-dimethoxy-3,3-dimethylindole
CID 76600758
2-chloro-5,5-dimethyl-7-pentylpyrrolo[2,3-d]pyrimidin-6-one
CID 87631727
[1-butyl-2-[2-[3-[2-(1-butyl-5,6-dimethoxy-3,3-dimethylindol-1-ium-2-yl)ethenyl]-2-chlorocyclohex-2-en-1-ylidene]ethylidene]-5-methoxy-3,3-dimethylindol-6-yl]methanol
CID 76609809

Frequently Asked Questions

What is the IUPAC name of 6-but-1-en-2-yl-1-butyl-5-chloro-3,3-dimethyl-2-methylideneindole?
The IUPAC name of 6-but-1-en-2-yl-1-butyl-5-chloro-3,3-dimethyl-2-methylideneindole (CID 156547856) is 6-but-1-en-2-yl-1-butyl-5-chloro-3,3-dimethyl-2-methylideneindole.
What is the SMILES notation for 6-but-1-en-2-yl-1-butyl-5-chloro-3,3-dimethyl-2-methylideneindole?
The canonical SMILES for 6-but-1-en-2-yl-1-butyl-5-chloro-3,3-dimethyl-2-methylideneindole is C=C(CC)c1cc2c(cc1Cl)C(C)(C)C(=C)N2CCCC.
What is the InChIKey of 6-but-1-en-2-yl-1-butyl-5-chloro-3,3-dimethyl-2-methylideneindole?
The InChIKey is FKIMTACOFHCMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN/c1-7-9-10-21-14(4)19(5,6)16-12-17(20)15(11-18(16)21)13(3)8-2/h11-12H,3-4,7-10H2,1-2,5-6H3.
What are the key properties of 6-but-1-en-2-yl-1-butyl-5-chloro-3,3-dimethyl-2-methylideneindole?
6-but-1-en-2-yl-1-butyl-5-chloro-3,3-dimethyl-2-methylideneindole has a molecular weight of 303.88 g/mol, XLogP of 6.17, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-but-1-en-2-yl-1-butyl-5-chloro-3,3-dimethyl-2-methylideneindole is sourced from PubChem (CID 156547856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).