3-(2,3-dimethylbut-3-enyl)-1H-indol-5-ol

C14H17NO — CID 123400921

IUPAC3-(2,3-dimethylbut-3-enyl)-1H-indol-5-ol
SMILESC=C(C)C(C)Cc1c[nH]c2ccc(O)cc12
InChIInChI=1S/C14H17NO/c1-9(2)10(3)6-11-8-15-14-5-4-12(16)7-13(11)14/h4-5,7-8,10,15-16H,1,6H2,2-3H3
InChIKeyJDRLAZMHOXKDFL-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.63
Rot. Bonds3

About 3-(2,3-dimethylbut-3-enyl)-1H-indol-5-ol

3-(2,3-dimethylbut-3-enyl)-1H-indol-5-ol (PubChem CID 123400921) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 3-(2,3-dimethylbut-3-enyl)-1H-indol-5-ol.

Molecular Properties

Compound Name3-(2,3-dimethylbut-3-enyl)-1H-indol-5-ol
PubChem CID123400921
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name3-(2,3-dimethylbut-3-enyl)-1H-indol-5-ol
SMILESC=C(C)C(C)Cc1c[nH]c2ccc(O)cc12
InChIInChI=1S/C14H17NO/c1-9(2)10(3)6-11-8-15-14-5-4-12(16)7-13(11)14/h4-5,7-8,10,15-16H,1,6H2,2-3H3
InChIKeyJDRLAZMHOXKDFL-UHFFFAOYSA-N
XLogP3.63
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(5-hydroxy-1H-indol-3-yl)-N,2-dimethylpropanamide
CID 166672970
methyl 3-(5-hydroxy-1H-indol-3-yl)-2-methylpropanoate
CID 66819072
3-[(2R)-2,3-dimethylbut-3-enyl]-1H-indole;molecular hydrogen
CID 145378179
ethane;4-(5-hydroxy-1H-indol-3-yl)-3-(methylamino)butan-2-one
CID 145087532
ethane;4-(5-hydroxy-1H-indol-3-yl)-3-(methylamino)butan-2-one
CID 145087627
3-[(5-hydroxy-1H-indol-3-yl)methyl]-1H-indol-5-ol
CID 15949127
2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid;methane;2-methylpropane
CID 164563516
3-propyl-1H-indol-5-ol
CID 15366338
2-hydrazinyl-3-(5-hydroxy-1H-indol-3-yl)propanoic acid
CID 11218575
methyl 2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoate
CID 14288547
methyl 3-(5-hydroxy-1H-indol-3-yl)-2-(methylamino)propanoate;hydrochloride
CID 69317062
3-prop-2-enyl-1H-indol-5-ol
CID 24746176

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylbut-3-enyl)-1H-indol-5-ol?
The IUPAC name of 3-(2,3-dimethylbut-3-enyl)-1H-indol-5-ol (CID 123400921) is 3-(2,3-dimethylbut-3-enyl)-1H-indol-5-ol.
What is the SMILES notation for 3-(2,3-dimethylbut-3-enyl)-1H-indol-5-ol?
The canonical SMILES for 3-(2,3-dimethylbut-3-enyl)-1H-indol-5-ol is C=C(C)C(C)Cc1c[nH]c2ccc(O)cc12.
What is the InChIKey of 3-(2,3-dimethylbut-3-enyl)-1H-indol-5-ol?
The InChIKey is JDRLAZMHOXKDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-9(2)10(3)6-11-8-15-14-5-4-12(16)7-13(11)14/h4-5,7-8,10,15-16H,1,6H2,2-3H3.
What are the key properties of 3-(2,3-dimethylbut-3-enyl)-1H-indol-5-ol?
3-(2,3-dimethylbut-3-enyl)-1H-indol-5-ol has a molecular weight of 215.30 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylbut-3-enyl)-1H-indol-5-ol is sourced from PubChem (CID 123400921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).