2,3-dimethylidene-1-(1-prop-2-enylpiperidin-4-yl)-3a,4-dihydroindole

C18H24N2 — CID 166857977

IUPAC2,3-dimethylidene-1-(1-prop-2-enylpiperidin-4-yl)-3a,4-dihydroindole
SMILESC=CCN1CCC(N2C(=C)C(=C)C3CC=CC=C32)CC1
InChIInChI=1S/C18H24N2/c1-4-11-19-12-9-16(10-13-19)20-15(3)14(2)17-7-5-6-8-18(17)20/h4-6,8,16-17H,1-3,7,9-13H2
InChIKeyLLCGXKDKKQUTLZ-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.48
Rot. Bonds3

About 2,3-dimethylidene-1-(1-prop-2-enylpiperidin-4-yl)-3a,4-dihydroindole

2,3-dimethylidene-1-(1-prop-2-enylpiperidin-4-yl)-3a,4-dihydroindole (PubChem CID 166857977) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2,3-dimethylidene-1-(1-prop-2-enylpiperidin-4-yl)-3a,4-dihydroindole.

Molecular Properties

Compound Name2,3-dimethylidene-1-(1-prop-2-enylpiperidin-4-yl)-3a,4-dihydroindole
PubChem CID166857977
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name2,3-dimethylidene-1-(1-prop-2-enylpiperidin-4-yl)-3a,4-dihydroindole
SMILESC=CCN1CCC(N2C(=C)C(=C)C3CC=CC=C32)CC1
InChIInChI=1S/C18H24N2/c1-4-11-19-12-9-16(10-13-19)20-15(3)14(2)17-7-5-6-8-18(17)20/h4-6,8,16-17H,1-3,7,9-13H2
InChIKeyLLCGXKDKKQUTLZ-UHFFFAOYSA-N
XLogP3.48
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(6-fluoro-2-methylcyclohexa-1,5-dien-1-yl)methyl]-N,N-dimethyl-4-[(2E,4Z,6E)-6-(4-methylpiperazin-1-yl)octa-2,4,6-trien-3-yl]pyrrolidin-3-amine
CID 166885654
6,9,13,17-Tetramethyl-6,13,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-2,4,8,11,15-pentaene
CID 23463443
1-(1-Methylpiperidin-4-yl)-2,3,3a,7a-tetrahydroindol-6-amine
CID 68164799
1-Piperidin-4-yl-2,3,3a,7a-tetrahydroindol-6-amine
CID 68375345
1,2,3,5,6,6a-Hexahydropyrrolo[2,1-a]isoquinolin-9-amine
CID 70206369
1-(4-Methylcyclohexa-2,4-dien-1-yl)-4-pyrrolidin-1-ylpiperidine
CID 70843755
3,3-dimethyl-1-(1-methylpiperidin-4-yl)-3a,7a-dihydro-2H-indol-6-amine
CID 71120181
4,6,6a,7-Tetrahydropyrido[2,1-a]isoindole
CID 88898424
2,3-dimethylidene-1-[(1E,3Z)-penta-1,3-dienyl]-3a,7a-dihydroindole
CID 122600428
1-But-2-en-2-yl-2-methyl-3-prop-1-enyl-3a,7a-dihydroindole
CID 123708018
1,2-dimethyl-3-methylidene-7,7a-dihydro-1H-isoindole
CID 130409571
3-methylidene-2-[(1-prop-2-enylpiperidin-4-yl)methyl]-5,6-dihydro-1H-isoindole
CID 132058787

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylidene-1-(1-prop-2-enylpiperidin-4-yl)-3a,4-dihydroindole?
The IUPAC name of 2,3-dimethylidene-1-(1-prop-2-enylpiperidin-4-yl)-3a,4-dihydroindole (CID 166857977) is 2,3-dimethylidene-1-(1-prop-2-enylpiperidin-4-yl)-3a,4-dihydroindole.
What is the SMILES notation for 2,3-dimethylidene-1-(1-prop-2-enylpiperidin-4-yl)-3a,4-dihydroindole?
The canonical SMILES for 2,3-dimethylidene-1-(1-prop-2-enylpiperidin-4-yl)-3a,4-dihydroindole is C=CCN1CCC(N2C(=C)C(=C)C3CC=CC=C32)CC1.
What is the InChIKey of 2,3-dimethylidene-1-(1-prop-2-enylpiperidin-4-yl)-3a,4-dihydroindole?
The InChIKey is LLCGXKDKKQUTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-4-11-19-12-9-16(10-13-19)20-15(3)14(2)17-7-5-6-8-18(17)20/h4-6,8,16-17H,1-3,7,9-13H2.
What are the key properties of 2,3-dimethylidene-1-(1-prop-2-enylpiperidin-4-yl)-3a,4-dihydroindole?
2,3-dimethylidene-1-(1-prop-2-enylpiperidin-4-yl)-3a,4-dihydroindole has a molecular weight of 268.40 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylidene-1-(1-prop-2-enylpiperidin-4-yl)-3a,4-dihydroindole is sourced from PubChem (CID 166857977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).