2-but-3-en-2-yl-3-propyl-1H-indole

C15H19N — CID 143390635

IUPAC2-but-3-en-2-yl-3-propyl-1H-indole
SMILESC=CC(C)c1[nH]c2ccccc2c1CCC
InChIInChI=1S/C15H19N/c1-4-8-13-12-9-6-7-10-14(12)16-15(13)11(3)5-2/h5-7,9-11,16H,2,4,8H2,1,3H3
InChIKeyFUOLSGUAWMBBRT-UHFFFAOYSA-N
MW213.32 g/mol
LogP4.41
Rot. Bonds4

About 2-but-3-en-2-yl-3-propyl-1H-indole

2-but-3-en-2-yl-3-propyl-1H-indole (PubChem CID 143390635) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-but-3-en-2-yl-3-propyl-1H-indole.

Molecular Properties

Compound Name2-but-3-en-2-yl-3-propyl-1H-indole
PubChem CID143390635
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Name2-but-3-en-2-yl-3-propyl-1H-indole
SMILESC=CC(C)c1[nH]c2ccccc2c1CCC
InChIInChI=1S/C15H19N/c1-4-8-13-12-9-6-7-10-14(12)16-15(13)11(3)5-2/h5-7,9-11,16H,2,4,8H2,1,3H3
InChIKeyFUOLSGUAWMBBRT-UHFFFAOYSA-N
XLogP4.41
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
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

2-but-3-en-2-yl-3-propyl-1-benzofuran
CID 123920542
3-ethyl-2-propyl-1H-indole
CID 65335384
ethyl 2-[3-(2-aminoethyl)-1H-indol-2-yl]propanoate
CID 10956302
2-(dimethoxymethyl)-3-ethyl-1H-indole
CID 134907125
2-methyl-3-propyl-1H-quinolin-4-one
CID 826058
4-propyl-9H-carbazole-3-carbaldehyde
CID 143973310
2,3-di(propan-2-yl)-1H-indole
CID 15398122
(2R)-1-(2-bromo-1H-indol-3-yl)-N,N-dimethylpropan-2-amine
CID 157042536
bis(9H-carbazole);propane
CID 90987002
3-[(E)-but-1-enyl]-2-propan-2-yl-1H-indole
CID 102241290
2-(2-propan-2-yl-1H-indol-3-yl)acetic acid
CID 70573715
3-hex-1-en-3-yl-2-pentyl-1H-indole
CID 10849606

Frequently Asked Questions

What is the IUPAC name of 2-but-3-en-2-yl-3-propyl-1H-indole?
The IUPAC name of 2-but-3-en-2-yl-3-propyl-1H-indole (CID 143390635) is 2-but-3-en-2-yl-3-propyl-1H-indole.
What is the SMILES notation for 2-but-3-en-2-yl-3-propyl-1H-indole?
The canonical SMILES for 2-but-3-en-2-yl-3-propyl-1H-indole is C=CC(C)c1[nH]c2ccccc2c1CCC.
What is the InChIKey of 2-but-3-en-2-yl-3-propyl-1H-indole?
The InChIKey is FUOLSGUAWMBBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N/c1-4-8-13-12-9-6-7-10-14(12)16-15(13)11(3)5-2/h5-7,9-11,16H,2,4,8H2,1,3H3.
What are the key properties of 2-but-3-en-2-yl-3-propyl-1H-indole?
2-but-3-en-2-yl-3-propyl-1H-indole has a molecular weight of 213.32 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-en-2-yl-3-propyl-1H-indole is sourced from PubChem (CID 143390635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).