4-(3-methylbut-3-enyl)-1H-indole

C13H15N — CID 14010474

IUPAC4-(3-methylbut-3-enyl)-1H-indole
SMILESC=C(C)CCc1cccc2[nH]ccc12
InChIInChI=1S/C13H15N/c1-10(2)6-7-11-4-3-5-13-12(11)8-9-14-13/h3-5,8-9,14H,1,6-7H2,2H3
InChIKeyQNNYPEMZKZLGKL-UHFFFAOYSA-N
MW185.27 g/mol
LogP3.68
Rot. Bonds3

About 4-(3-methylbut-3-enyl)-1H-indole

4-(3-methylbut-3-enyl)-1H-indole (PubChem CID 14010474) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is 4-(3-methylbut-3-enyl)-1H-indole.

Molecular Properties

Compound Name4-(3-methylbut-3-enyl)-1H-indole
PubChem CID14010474
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Name4-(3-methylbut-3-enyl)-1H-indole
SMILESC=C(C)CCc1cccc2[nH]ccc12
InChIInChI=1S/C13H15N/c1-10(2)6-7-11-4-3-5-13-12(11)8-9-14-13/h3-5,8-9,14H,1,6-7H2,2H3
InChIKeyQNNYPEMZKZLGKL-UHFFFAOYSA-N
XLogP3.68
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-[2,6-bis(3-methylbut-3-enyl)phenoxy]-1,3-bis(3-methylbut-3-enyl)benzene
CID 69442758
1H-indol-4-ol
CID 102220556
4-(2-methylbut-2-enyl)-1H-indole
CID 141009102
N-(3-acetylphenyl)-3-(1H-indol-4-yl)propanamide
CID 53160273
ethane;1H-indol-4-ylmethanamine
CID 144540106
4-(iodomethyl)-1H-indole
CID 143791617
2-amino-4-(1H-indol-4-yl)butanoic acid
CID 69406659
N-[(3,5-dimethoxyphenyl)methyl]-3-(1H-indol-4-yl)propanamide
CID 53160300
N-(1H-indol-4-ylmethyl)-2-methylpropan-1-amine
CID 17221020
propane;N-prop-1-en-2-yl-1H-indol-4-amine
CID 143997760
N-[(4-ethoxyphenyl)methyl]-3-(1H-indol-4-yl)propanamide
CID 53160301
N-(2-ethoxyphenyl)-3-(1H-indol-4-yl)propanamide
CID 53160274

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbut-3-enyl)-1H-indole?
The IUPAC name of 4-(3-methylbut-3-enyl)-1H-indole (CID 14010474) is 4-(3-methylbut-3-enyl)-1H-indole.
What is the SMILES notation for 4-(3-methylbut-3-enyl)-1H-indole?
The canonical SMILES for 4-(3-methylbut-3-enyl)-1H-indole is C=C(C)CCc1cccc2[nH]ccc12.
What is the InChIKey of 4-(3-methylbut-3-enyl)-1H-indole?
The InChIKey is QNNYPEMZKZLGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N/c1-10(2)6-7-11-4-3-5-13-12(11)8-9-14-13/h3-5,8-9,14H,1,6-7H2,2H3.
What are the key properties of 4-(3-methylbut-3-enyl)-1H-indole?
4-(3-methylbut-3-enyl)-1H-indole has a molecular weight of 185.27 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbut-3-enyl)-1H-indole is sourced from PubChem (CID 14010474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).