1-[2-[(Z)-prop-1-enyl]-1H-indol-3-yl]ethenol

C13H13NO — CID 143138999

IUPAC1-[2-[(Z)-prop-1-enyl]-1H-indol-3-yl]ethenol
SMILESC=C(O)c1c(/C=C\C)[nH]c2ccccc12
InChIInChI=1S/C13H13NO/c1-3-6-12-13(9(2)15)10-7-4-5-8-11(10)14-12/h3-8,14-15H,2H2,1H3/b6-3-
InChIKeyBGOOBLUSSDLUCJ-UTCJRWHESA-N
MW199.25 g/mol
LogP3.73
Rot. Bonds2

About 1-[2-[(Z)-prop-1-enyl]-1H-indol-3-yl]ethenol

1-[2-[(Z)-prop-1-enyl]-1H-indol-3-yl]ethenol (PubChem CID 143138999) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is 1-[2-[(Z)-prop-1-enyl]-1H-indol-3-yl]ethenol.

Molecular Properties

Compound Name1-[2-[(Z)-prop-1-enyl]-1H-indol-3-yl]ethenol
PubChem CID143138999
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name1-[2-[(Z)-prop-1-enyl]-1H-indol-3-yl]ethenol
SMILESC=C(O)c1c(/C=C\C)[nH]c2ccccc12
InChIInChI=1S/C13H13NO/c1-3-6-12-13(9(2)15)10-7-4-5-8-11(10)14-12/h3-8,14-15H,2H2,1H3/b6-3-
InChIKeyBGOOBLUSSDLUCJ-UTCJRWHESA-N
XLogP3.73
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

phenyl-[2-[(E)-2-phenylethenyl]-1H-indol-3-yl]methanone
CID 10314121
methyl (E)-3-[2-[(E)-prop-1-enyl]-1H-indol-3-yl]prop-2-enoate
CID 14361996
3-ethenyl-4-[(Z)-prop-1-enyl]-1H-1-benzazepine-2,5-dione
CID 143318864
2-carbamoyl-1H-indole-3-carboxylic acid
CID 83814167
4-phenyl-3-prop-1-en-2-yl-1H-quinolin-2-one
CID 142303338
9H-carbazole;carbonic acid
CID 67577328
4,4-bis(2-methyl-1H-indol-3-yl)but-3-en-2-one
CID 134840474
(2-fluoro-1H-indol-3-yl)-phenylmethanone
CID 175455866
3-benzoyl-1H-indole-2-carboxylic acid
CID 22917099
(3Z)-2-methylidene-3-(2-methylprop-2-enylidene)-1H-indole
CID 143173663
9H-carbazole;prop-2-enamide
CID 174545742
CID 170645730
CID 170645730

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(Z)-prop-1-enyl]-1H-indol-3-yl]ethenol?
The IUPAC name of 1-[2-[(Z)-prop-1-enyl]-1H-indol-3-yl]ethenol (CID 143138999) is 1-[2-[(Z)-prop-1-enyl]-1H-indol-3-yl]ethenol.
What is the SMILES notation for 1-[2-[(Z)-prop-1-enyl]-1H-indol-3-yl]ethenol?
The canonical SMILES for 1-[2-[(Z)-prop-1-enyl]-1H-indol-3-yl]ethenol is C=C(O)c1c(/C=C\C)[nH]c2ccccc12.
What is the InChIKey of 1-[2-[(Z)-prop-1-enyl]-1H-indol-3-yl]ethenol?
The InChIKey is BGOOBLUSSDLUCJ-UTCJRWHESA-N. The full InChI is InChI=1S/C13H13NO/c1-3-6-12-13(9(2)15)10-7-4-5-8-11(10)14-12/h3-8,14-15H,2H2,1H3/b6-3-.
What are the key properties of 1-[2-[(Z)-prop-1-enyl]-1H-indol-3-yl]ethenol?
1-[2-[(Z)-prop-1-enyl]-1H-indol-3-yl]ethenol has a molecular weight of 199.25 g/mol, XLogP of 3.73, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(Z)-prop-1-enyl]-1H-indol-3-yl]ethenol is sourced from PubChem (CID 143138999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).