2-[bis(prop-2-enyl)amino]-1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)ethanone

C20H25NO — CID 3051292

IUPAC2-[bis(prop-2-enyl)amino]-1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)ethanone
SMILESC=CCN(CC=C)CC(=O)c1c2c(cc3c1CCC3)CCC2
InChIInChI=1S/C20H25NO/c1-3-11-21(12-4-2)14-19(22)20-17-9-5-7-15(17)13-16-8-6-10-18(16)20/h3-4,13H,1-2,5-12,14H2
InChIKeyYXSYSFOLHZNTJQ-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.52
Rot. Bonds7

About 2-[bis(prop-2-enyl)amino]-1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)ethanone

2-[bis(prop-2-enyl)amino]-1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)ethanone (PubChem CID 3051292) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is 2-[bis(prop-2-enyl)amino]-1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)ethanone.

Molecular Properties

Compound Name2-[bis(prop-2-enyl)amino]-1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)ethanone
PubChem CID3051292
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name2-[bis(prop-2-enyl)amino]-1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)ethanone
SMILESC=CCN(CC=C)CC(=O)c1c2c(cc3c1CCC3)CCC2
InChIInChI=1S/C20H25NO/c1-3-11-21(12-4-2)14-19(22)20-17-9-5-7-15(17)13-16-8-6-10-18(16)20/h3-4,13H,1-2,5-12,14H2
InChIKeyYXSYSFOLHZNTJQ-UHFFFAOYSA-N
XLogP3.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(prop-2-enyl)amino]-1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)ethanone?
The IUPAC name of 2-[bis(prop-2-enyl)amino]-1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)ethanone (CID 3051292) is 2-[bis(prop-2-enyl)amino]-1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)ethanone.
What is the SMILES notation for 2-[bis(prop-2-enyl)amino]-1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)ethanone?
The canonical SMILES for 2-[bis(prop-2-enyl)amino]-1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)ethanone is C=CCN(CC=C)CC(=O)c1c2c(cc3c1CCC3)CCC2.
What is the InChIKey of 2-[bis(prop-2-enyl)amino]-1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)ethanone?
The InChIKey is YXSYSFOLHZNTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c1-3-11-21(12-4-2)14-19(22)20-17-9-5-7-15(17)13-16-8-6-10-18(16)20/h3-4,13H,1-2,5-12,14H2.
What are the key properties of 2-[bis(prop-2-enyl)amino]-1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)ethanone?
2-[bis(prop-2-enyl)amino]-1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)ethanone has a molecular weight of 295.43 g/mol, XLogP of 3.52, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(prop-2-enyl)amino]-1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)ethanone is sourced from PubChem (CID 3051292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).