4-[3-(methylamino)prop-1-enyl]-1H-indole-3-carbaldehyde

C13H14N2O — CID 169474327

IUPAC4-[3-(methylamino)prop-1-enyl]-1H-indole-3-carbaldehyde
SMILESCNCC=Cc1cccc2[nH]cc(C=O)c12
InChIInChI=1S/C13H14N2O/c1-14-7-3-5-10-4-2-6-12-13(10)11(9-16)8-15-12/h2-6,8-9,14-15H,7H2,1H3
InChIKeyWFUXLSAMXPXKNY-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.21
Rot. Bonds4

About 4-[3-(methylamino)prop-1-enyl]-1H-indole-3-carbaldehyde

4-[3-(methylamino)prop-1-enyl]-1H-indole-3-carbaldehyde (PubChem CID 169474327) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 4-[3-(methylamino)prop-1-enyl]-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name4-[3-(methylamino)prop-1-enyl]-1H-indole-3-carbaldehyde
PubChem CID169474327
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name4-[3-(methylamino)prop-1-enyl]-1H-indole-3-carbaldehyde
SMILESCNCC=Cc1cccc2[nH]cc(C=O)c12
InChIInChI=1S/C13H14N2O/c1-14-7-3-5-10-4-2-6-12-13(10)11(9-16)8-15-12/h2-6,8-9,14-15H,7H2,1H3
InChIKeyWFUXLSAMXPXKNY-UHFFFAOYSA-N
XLogP2.21
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(4-oxobut-1-enyl)-1H-indole-3-carbaldehyde
CID 170482614
4-(2-phenylethenyl)-1H-indole-3-carbaldehyde
CID 54128147
4-[1,2-dihydroxy-3-(methylamino)propyl]-1H-indole-3-carbaldehyde
CID 171858734
3-[3-(methylamino)prop-1-enyl]-1H-pyridin-2-one
CID 169473127
3-chloro-2-[3-(methylamino)prop-1-enyl]benzaldehyde
CID 169473484
methyl 4-(3-formyl-1H-indol-4-yl)but-3-ynoate
CID 170470245
N-methyl-3-(6-methyl-1H-indol-3-yl)prop-2-en-1-amine
CID 169474897
3-(3-chloro-2-methylphenyl)-N-methylprop-2-en-1-amine
CID 169473159
4-(1,2-dihydroxy-3-sulfanylpropyl)-1H-indole-3-carbaldehyde
CID 170820672
(E)-3-(2-chlorophenyl)-N-methylprop-2-en-1-amine
CID 54775827
6-[3-(methylamino)prop-1-enyl]pyridine-2-carbaldehyde
CID 169473370
2-fluoro-6-[3-(methylamino)prop-1-enyl]aniline
CID 169473296

Frequently Asked Questions

What is the IUPAC name of 4-[3-(methylamino)prop-1-enyl]-1H-indole-3-carbaldehyde?
The IUPAC name of 4-[3-(methylamino)prop-1-enyl]-1H-indole-3-carbaldehyde (CID 169474327) is 4-[3-(methylamino)prop-1-enyl]-1H-indole-3-carbaldehyde.
What is the SMILES notation for 4-[3-(methylamino)prop-1-enyl]-1H-indole-3-carbaldehyde?
The canonical SMILES for 4-[3-(methylamino)prop-1-enyl]-1H-indole-3-carbaldehyde is CNCC=Cc1cccc2[nH]cc(C=O)c12.
What is the InChIKey of 4-[3-(methylamino)prop-1-enyl]-1H-indole-3-carbaldehyde?
The InChIKey is WFUXLSAMXPXKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-14-7-3-5-10-4-2-6-12-13(10)11(9-16)8-15-12/h2-6,8-9,14-15H,7H2,1H3.
What are the key properties of 4-[3-(methylamino)prop-1-enyl]-1H-indole-3-carbaldehyde?
4-[3-(methylamino)prop-1-enyl]-1H-indole-3-carbaldehyde has a molecular weight of 214.27 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methylamino)prop-1-enyl]-1H-indole-3-carbaldehyde is sourced from PubChem (CID 169474327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).