2-[(E)-2-(dimethylamino)ethenyl]-1-methylindole-3-carbaldehyde;ethane

C16H22N2O — CID 91058510

IUPAC2-[(E)-2-(dimethylamino)ethenyl]-1-methylindole-3-carbaldehyde;ethane
SMILESCC.CN(C)/C=C/c1c(C=O)c2ccccc2n1C
InChIInChI=1S/C14H16N2O.C2H6/c1-15(2)9-8-14-12(10-17)11-6-4-5-7-13(11)16(14)3;1-2/h4-10H,1-3H3;1-2H3/b9-8+;
InChIKeyUNDZSWWPLQYBCC-HRNDJLQDSA-N
MW258.36 g/mol
LogP3.55
Rot. Bonds3

About 2-[(E)-2-(dimethylamino)ethenyl]-1-methylindole-3-carbaldehyde;ethane

2-[(E)-2-(dimethylamino)ethenyl]-1-methylindole-3-carbaldehyde;ethane (PubChem CID 91058510) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-[(E)-2-(dimethylamino)ethenyl]-1-methylindole-3-carbaldehyde;ethane.

Molecular Properties

Compound Name2-[(E)-2-(dimethylamino)ethenyl]-1-methylindole-3-carbaldehyde;ethane
PubChem CID91058510
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name2-[(E)-2-(dimethylamino)ethenyl]-1-methylindole-3-carbaldehyde;ethane
SMILESCC.CN(C)/C=C/c1c(C=O)c2ccccc2n1C
InChIInChI=1S/C14H16N2O.C2H6/c1-15(2)9-8-14-12(10-17)11-6-4-5-7-13(11)16(14)3;1-2/h4-10H,1-3H3;1-2H3/b9-8+;
InChIKeyUNDZSWWPLQYBCC-HRNDJLQDSA-N
XLogP3.55
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(E)-2-(dimethylamino)ethenyl]-5-fluoro-1-methylindole-3-carbaldehyde
CID 59854617
2-deuteriocarbonyl-1-methylindole-3-carbaldehyde
CID 12584870
ethane;1-methyl-2,3-bis[(Z)-prop-1-enyl]indole
CID 144820845
2-fluoro-1-methylindole-3-carbaldehyde
CID 141053587
methyl (E)-3-(2-formyl-1-methylindol-3-yl)prop-2-enoate
CID 14642760
2-azido-1-methylindole-3-carbaldehyde
CID 14245995
ethane;bis(9-methylcarbazole)
CID 159710949
1-methyl-2-(1-phenylethenyl)indole-3-carbaldehyde
CID 134938903
1,3-dimethyl-2-[(Z)-prop-1-enyl]indole;ethane
CID 144783393
2-hexanoyl-1-methylindole-3-carbaldehyde
CID 10611168
1-methyl-2-(4-methylphenoxy)indole-3-carbaldehyde
CID 2763797
3-hydroxy-9-methylcarbazole-4-carbaldehyde
CID 155346845

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(dimethylamino)ethenyl]-1-methylindole-3-carbaldehyde;ethane?
The IUPAC name of 2-[(E)-2-(dimethylamino)ethenyl]-1-methylindole-3-carbaldehyde;ethane (CID 91058510) is 2-[(E)-2-(dimethylamino)ethenyl]-1-methylindole-3-carbaldehyde;ethane.
What is the SMILES notation for 2-[(E)-2-(dimethylamino)ethenyl]-1-methylindole-3-carbaldehyde;ethane?
The canonical SMILES for 2-[(E)-2-(dimethylamino)ethenyl]-1-methylindole-3-carbaldehyde;ethane is CC.CN(C)/C=C/c1c(C=O)c2ccccc2n1C.
What is the InChIKey of 2-[(E)-2-(dimethylamino)ethenyl]-1-methylindole-3-carbaldehyde;ethane?
The InChIKey is UNDZSWWPLQYBCC-HRNDJLQDSA-N. The full InChI is InChI=1S/C14H16N2O.C2H6/c1-15(2)9-8-14-12(10-17)11-6-4-5-7-13(11)16(14)3;1-2/h4-10H,1-3H3;1-2H3/b9-8+;.
What are the key properties of 2-[(E)-2-(dimethylamino)ethenyl]-1-methylindole-3-carbaldehyde;ethane?
2-[(E)-2-(dimethylamino)ethenyl]-1-methylindole-3-carbaldehyde;ethane has a molecular weight of 258.36 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(dimethylamino)ethenyl]-1-methylindole-3-carbaldehyde;ethane is sourced from PubChem (CID 91058510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).