3-[(2R)-2,3-dimethylbut-3-enyl]-1H-indole;molecular hydrogen

C14H21N — CID 145378179

IUPAC3-[(2R)-2,3-dimethylbut-3-enyl]-1H-indole;molecular hydrogen
SMILESC=C(C)[C@H](C)Cc1c[nH]c2ccccc12.[H][H].[H][H]
InChIInChI=1S/C14H17N.2H2/c1-10(2)11(3)8-12-9-15-14-7-5-4-6-13(12)14;;/h4-7,9,11,15H,1,8H2,2-3H3;2*1H/t11-;;/m1../s1
InChIKeyCEHBUVZMMWKEIP-NVJADKKVSA-N
MW203.33 g/mol
LogP4.41
Rot. Bonds3

About 3-[(2R)-2,3-dimethylbut-3-enyl]-1H-indole;molecular hydrogen

3-[(2R)-2,3-dimethylbut-3-enyl]-1H-indole;molecular hydrogen (PubChem CID 145378179) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 3-[(2R)-2,3-dimethylbut-3-enyl]-1H-indole;molecular hydrogen.

Molecular Properties

Compound Name3-[(2R)-2,3-dimethylbut-3-enyl]-1H-indole;molecular hydrogen
PubChem CID145378179
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name3-[(2R)-2,3-dimethylbut-3-enyl]-1H-indole;molecular hydrogen
SMILESC=C(C)[C@H](C)Cc1c[nH]c2ccccc12.[H][H].[H][H]
InChIInChI=1S/C14H17N.2H2/c1-10(2)11(3)8-12-9-15-14-7-5-4-6-13(12)14;;/h4-7,9,11,15H,1,8H2,2-3H3;2*1H/t11-;;/m1../s1
InChIKeyCEHBUVZMMWKEIP-NVJADKKVSA-N
XLogP4.41
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 54.41
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

1-(1H-indol-3-yl)-3-methylbut-3-en-2-amine
CID 130443458
3-(2,3-dimethylbut-3-enyl)-1H-indol-5-ol
CID 123400921
3-(2,3-dimethylbut-3-enyl)-1H-indole;3,6-dimethyl-5-methylidene-N-(3-methyl-1-phenylbut-3-en-2-yl)-4-(2-methylpropyl)-7-phenylhept-1-en-2-amine
CID 142499193
3-(2-fluoropropyl)-1H-indole
CID 142409179
ethyl (2S)-3-(1H-indol-3-yl)-2-methylpropanoate
CID 170617475
ethane;methyl 3-(1H-indol-3-yl)-2-methylpropanoate
CID 169189360
N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]-2-methylidenebutan-1-amine
CID 138643387
2-(1H-indol-3-yl)ethane-1,1-diol
CID 21400411
1-(1H-indol-3-yl)propan-2-amine;dihydrochloride
CID 141487070
(2S)-2-(hydroxyamino)-3-(1H-indol-3-yl)propanoate
CID 45266744
tert-butyl (2S)-3-(1H-indol-3-yl)-2-methylpropanoate
CID 170617478
(3S)-4-(1H-indol-3-yl)-3-(methylideneamino)butan-2-one
CID 70834795

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2,3-dimethylbut-3-enyl]-1H-indole;molecular hydrogen?
The IUPAC name of 3-[(2R)-2,3-dimethylbut-3-enyl]-1H-indole;molecular hydrogen (CID 145378179) is 3-[(2R)-2,3-dimethylbut-3-enyl]-1H-indole;molecular hydrogen.
What is the SMILES notation for 3-[(2R)-2,3-dimethylbut-3-enyl]-1H-indole;molecular hydrogen?
The canonical SMILES for 3-[(2R)-2,3-dimethylbut-3-enyl]-1H-indole;molecular hydrogen is C=C(C)[C@H](C)Cc1c[nH]c2ccccc12.[H][H].[H][H].
What is the InChIKey of 3-[(2R)-2,3-dimethylbut-3-enyl]-1H-indole;molecular hydrogen?
The InChIKey is CEHBUVZMMWKEIP-NVJADKKVSA-N. The full InChI is InChI=1S/C14H17N.2H2/c1-10(2)11(3)8-12-9-15-14-7-5-4-6-13(12)14;;/h4-7,9,11,15H,1,8H2,2-3H3;2*1H/t11-;;/m1../s1.
What are the key properties of 3-[(2R)-2,3-dimethylbut-3-enyl]-1H-indole;molecular hydrogen?
3-[(2R)-2,3-dimethylbut-3-enyl]-1H-indole;molecular hydrogen has a molecular weight of 203.33 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2,3-dimethylbut-3-enyl]-1H-indole;molecular hydrogen is sourced from PubChem (CID 145378179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).