4-but-1-en-2-yl-2H-indole

C12H13N — CID 170120378

IUPAC4-but-1-en-2-yl-2H-indole
SMILESC=C(CC)c1cccc2c1=CCN=2
InChIInChI=1S/C12H13N/c1-3-9(2)10-5-4-6-12-11(10)7-8-13-12/h4-7H,2-3,8H2,1H3
InChIKeySWDMSEJPSVWWSN-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.52
Rot. Bonds2

About 4-but-1-en-2-yl-2H-indole

4-but-1-en-2-yl-2H-indole (PubChem CID 170120378) has the molecular formula C12H13N and a molecular weight of 171.24 g/mol. Its IUPAC name is 4-but-1-en-2-yl-2H-indole.

Molecular Properties

Compound Name4-but-1-en-2-yl-2H-indole
PubChem CID170120378
Molecular FormulaC12H13N
Molecular Weight171.24 g/mol
Exact Mass171.10
IUPAC Name4-but-1-en-2-yl-2H-indole
SMILESC=C(CC)c1cccc2c1=CCN=2
InChIInChI=1S/C12H13N/c1-3-9(2)10-5-4-6-12-11(10)7-8-13-12/h4-7H,2-3,8H2,1H3
InChIKeySWDMSEJPSVWWSN-UHFFFAOYSA-N
XLogP1.52
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

8aH-carbazole
CID 9548747
2H-Indole
CID 19013146
2-Methylindol-2-ylium
CID 57054412
2-methyl-2H-indole
CID 58371059
Trimethyl 2h indol
CID 101318478
5-fluoro-2H-indole
CID 69725021
2-fluoro-2H-indole
CID 69725022
5-[(2Z,4E)-4-fluorohexa-2,4-dienyl]-3-methyl-2H-pyrrole
CID 143331085
1-(2-fluorocyclohexa-1,3-dien-1-yl)-N-methylethanimine
CID 146585989
5-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-3-propyl-2H-pyrrole
CID 170067974
5-fluoro-2-methyl-2H-indole
CID 173150045
2-ethyl-5-fluoro-2H-indole
CID 175232011

Frequently Asked Questions

What is the IUPAC name of 4-but-1-en-2-yl-2H-indole?
The IUPAC name of 4-but-1-en-2-yl-2H-indole (CID 170120378) is 4-but-1-en-2-yl-2H-indole.
What is the SMILES notation for 4-but-1-en-2-yl-2H-indole?
The canonical SMILES for 4-but-1-en-2-yl-2H-indole is C=C(CC)c1cccc2c1=CCN=2.
What is the InChIKey of 4-but-1-en-2-yl-2H-indole?
The InChIKey is SWDMSEJPSVWWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N/c1-3-9(2)10-5-4-6-12-11(10)7-8-13-12/h4-7H,2-3,8H2,1H3.
What are the key properties of 4-but-1-en-2-yl-2H-indole?
4-but-1-en-2-yl-2H-indole has a molecular weight of 171.24 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-1-en-2-yl-2H-indole is sourced from PubChem (CID 170120378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).