2-prop-1-enyl-2,3-dihydro-1H-indole

C11H13N — CID 131872139

IUPAC2-prop-1-enyl-2,3-dihydro-1H-indole
SMILESCC=CC1Cc2ccccc2N1
InChIInChI=1S/C11H13N/c1-2-5-10-8-9-6-3-4-7-11(9)12-10/h2-7,10,12H,8H2,1H3
InChIKeyYOWJEJJQJRCDKM-UHFFFAOYSA-N
MW159.23 g/mol
LogP2.60
Rot. Bonds1

About 2-prop-1-enyl-2,3-dihydro-1H-indole

2-prop-1-enyl-2,3-dihydro-1H-indole (PubChem CID 131872139) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is 2-prop-1-enyl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name2-prop-1-enyl-2,3-dihydro-1H-indole
PubChem CID131872139
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name2-prop-1-enyl-2,3-dihydro-1H-indole
SMILESCC=CC1Cc2ccccc2N1
InChIInChI=1S/C11H13N/c1-2-5-10-8-9-6-3-4-7-11(9)12-10/h2-7,10,12H,8H2,1H3
InChIKeyYOWJEJJQJRCDKM-UHFFFAOYSA-N
XLogP2.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[(2S)-2,3-dihydro-1H-indol-2-yl]-2,3-dihydro-1H-indole
CID 139181598
(2R)-2-methyl-2,3-dihydro-1H-indole;hydrochloride
CID 155819591
1-(2,3-dihydro-1H-indol-2-yl)-N-methylethanamine
CID 83860499
2-butan-2-yl-2,3-dihydro-1H-indole
CID 70399536
(2S,3S)-2,3-dimethyl-1,2,3,4-tetrahydroquinoline
CID 102507922
cyclopropyl(2,3-dihydro-1H-indol-2-yl)methanol
CID 65041649
formic acid;2-methyl-2,3-dihydro-1H-indole
CID 144722451
2,3-dihydro-1H-indol-2-yl-(4-methylphenyl)methanol
CID 3825939
1-methyl-1,2,3,4,4a,9,9a,10-octahydroacridine
CID 135040904
(2R)-2-prop-2-enyl-2,3-dihydro-1H-indole
CID 1380957
(2R,3S)-2-cyclopropyl-3-methyl-1,2,3,4-tetrahydroquinoline
CID 139325811
2-(2,3-dihydro-1H-indol-2-yl)propan-2-ol
CID 14668660

Frequently Asked Questions

What is the IUPAC name of 2-prop-1-enyl-2,3-dihydro-1H-indole?
The IUPAC name of 2-prop-1-enyl-2,3-dihydro-1H-indole (CID 131872139) is 2-prop-1-enyl-2,3-dihydro-1H-indole.
What is the SMILES notation for 2-prop-1-enyl-2,3-dihydro-1H-indole?
The canonical SMILES for 2-prop-1-enyl-2,3-dihydro-1H-indole is CC=CC1Cc2ccccc2N1.
What is the InChIKey of 2-prop-1-enyl-2,3-dihydro-1H-indole?
The InChIKey is YOWJEJJQJRCDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N/c1-2-5-10-8-9-6-3-4-7-11(9)12-10/h2-7,10,12H,8H2,1H3.
What are the key properties of 2-prop-1-enyl-2,3-dihydro-1H-indole?
2-prop-1-enyl-2,3-dihydro-1H-indole has a molecular weight of 159.23 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-1-enyl-2,3-dihydro-1H-indole is sourced from PubChem (CID 131872139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).