5-methoxy-1-(3-methylbut-2-enyl)indole

C14H17NO — CID 116619398

IUPAC5-methoxy-1-(3-methylbut-2-enyl)indole
SMILESCOc1ccc2c(ccn2CC=C(C)C)c1
InChIInChI=1S/C14H17NO/c1-11(2)6-8-15-9-7-12-10-13(16-3)4-5-14(12)15/h4-7,9-10H,8H2,1-3H3
InChIKeyXFUJGVPLBOLQNN-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.62
Rot. Bonds3

About 5-methoxy-1-(3-methylbut-2-enyl)indole

5-methoxy-1-(3-methylbut-2-enyl)indole (PubChem CID 116619398) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 5-methoxy-1-(3-methylbut-2-enyl)indole.

Molecular Properties

Compound Name5-methoxy-1-(3-methylbut-2-enyl)indole
PubChem CID116619398
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name5-methoxy-1-(3-methylbut-2-enyl)indole
SMILESCOc1ccc2c(ccn2CC=C(C)C)c1
InChIInChI=1S/C14H17NO/c1-11(2)6-8-15-9-7-12-10-13(16-3)4-5-14(12)15/h4-7,9-10H,8H2,1-3H3
InChIKeyXFUJGVPLBOLQNN-UHFFFAOYSA-N
XLogP3.62
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(5-methoxyindol-1-yl)-2-methylbut-2-enoic acid
CID 77074701
4-(5-methoxyindol-1-yl)but-2-enoic acid
CID 76940468
N-[(5-methoxyindol-1-yl)methyl]-N-propan-2-ylpropan-2-amine
CID 46704016
2-hydroxy-3-(5-methoxyindol-1-yl)propanal
CID 145175310
5-methoxy-1-prop-2-ynylindole
CID 45091362
6-(5-methoxyindol-1-yl)hexan-1-ol
CID 107707082
(Z)-4-(5-ethoxyindol-1-yl)-2-methylbut-2-enoic acid
CID 80643016
[4-[(5-methoxyindol-1-yl)methyl]phenoxy]boronic acid
CID 169006286
5-methoxy-1-(2-methylsulfanylethyl)indole
CID 116619344
3-(5-methoxyindol-1-yl)propanamide
CID 116619447
(2S)-2-amino-3-(5-methoxyindol-1-yl)propan-1-ol
CID 178146613
5-methoxy-1-(2-methylbutyl)indole
CID 116619323

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-(3-methylbut-2-enyl)indole?
The IUPAC name of 5-methoxy-1-(3-methylbut-2-enyl)indole (CID 116619398) is 5-methoxy-1-(3-methylbut-2-enyl)indole.
What is the SMILES notation for 5-methoxy-1-(3-methylbut-2-enyl)indole?
The canonical SMILES for 5-methoxy-1-(3-methylbut-2-enyl)indole is COc1ccc2c(ccn2CC=C(C)C)c1.
What is the InChIKey of 5-methoxy-1-(3-methylbut-2-enyl)indole?
The InChIKey is XFUJGVPLBOLQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-11(2)6-8-15-9-7-12-10-13(16-3)4-5-14(12)15/h4-7,9-10H,8H2,1-3H3.
What are the key properties of 5-methoxy-1-(3-methylbut-2-enyl)indole?
5-methoxy-1-(3-methylbut-2-enyl)indole has a molecular weight of 215.30 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-(3-methylbut-2-enyl)indole is sourced from PubChem (CID 116619398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).