N-[[(Z)-3-(1-acetylindol-3-yl)prop-2-enylidene]amino]-2-cyanoacetamide

C16H14N4O2 — CID 129437984

IUPACN-[[(Z)-3-(1-acetylindol-3-yl)prop-2-enylidene]amino]-2-cyanoacetamide
SMILESCC(=O)n1cc(/C=C\C=NNC(=O)CC#N)c2ccccc21
InChIInChI=1S/C16H14N4O2/c1-12(21)20-11-13(14-6-2-3-7-15(14)20)5-4-10-18-19-16(22)8-9-17/h2-7,10-11H,8H2,1H3,(H,19,22)/b5-4-,18-10?
InChIKeyCSVQLOLLYDLQHZ-DLRRHIBLSA-N
MW294.31 g/mol
LogP2.33
Rot. Bonds4

About N-[[(Z)-3-(1-acetylindol-3-yl)prop-2-enylidene]amino]-2-cyanoacetamide

N-[[(Z)-3-(1-acetylindol-3-yl)prop-2-enylidene]amino]-2-cyanoacetamide (PubChem CID 129437984) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is N-[[(Z)-3-(1-acetylindol-3-yl)prop-2-enylidene]amino]-2-cyanoacetamide.

Molecular Properties

Compound NameN-[[(Z)-3-(1-acetylindol-3-yl)prop-2-enylidene]amino]-2-cyanoacetamide
PubChem CID129437984
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC NameN-[[(Z)-3-(1-acetylindol-3-yl)prop-2-enylidene]amino]-2-cyanoacetamide
SMILESCC(=O)n1cc(/C=C\C=NNC(=O)CC#N)c2ccccc21
InChIInChI=1S/C16H14N4O2/c1-12(21)20-11-13(14-6-2-3-7-15(14)20)5-4-10-18-19-16(22)8-9-17/h2-7,10-11H,8H2,1H3,(H,19,22)/b5-4-,18-10?
InChIKeyCSVQLOLLYDLQHZ-DLRRHIBLSA-N
XLogP2.33
TPSA87.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-cyanoacetamide
CID 5414915
2-cyano-N-[(1-prop-2-enylindol-3-yl)methylideneamino]acetamide
CID 962771
(E)-4-(1-acetylindol-3-yl)but-3-en-2-one
CID 775095
2-cyano-N-[(Z)-[1-[(2-cyanophenyl)methyl]indol-3-yl]methylideneamino]acetamide
CID 5424462
[(1-acetylindol-3-yl)methylideneamino]thiourea
CID 3429899
1-[3-[(1E,6E)-7-(4-hydroxyphenyl)hepta-1,6-dienyl]indol-1-yl]ethanone
CID 141206197
N-[(E)-(2-chlorophenyl)methylideneamino]-2-cyanoacetamide
CID 6883998
N-[(2-chlorophenyl)methylideneamino]-2-cyanoacetamide
CID 709280
3-(1-acetylindol-3-yl)-2-nitroprop-2-enenitrile
CID 138454450
1-(1-acetylindol-3-yl)-7-(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione
CID 68554546
2-cyano-N-[(2-fluorophenyl)methylideneamino]acetamide
CID 3955883
2-cyano-N-[(2-methoxyphenyl)methylideneamino]acetamide
CID 739635

Frequently Asked Questions

What is the IUPAC name of N-[[(Z)-3-(1-acetylindol-3-yl)prop-2-enylidene]amino]-2-cyanoacetamide?
The IUPAC name of N-[[(Z)-3-(1-acetylindol-3-yl)prop-2-enylidene]amino]-2-cyanoacetamide (CID 129437984) is N-[[(Z)-3-(1-acetylindol-3-yl)prop-2-enylidene]amino]-2-cyanoacetamide.
What is the SMILES notation for N-[[(Z)-3-(1-acetylindol-3-yl)prop-2-enylidene]amino]-2-cyanoacetamide?
The canonical SMILES for N-[[(Z)-3-(1-acetylindol-3-yl)prop-2-enylidene]amino]-2-cyanoacetamide is CC(=O)n1cc(/C=C\C=NNC(=O)CC#N)c2ccccc21.
What is the InChIKey of N-[[(Z)-3-(1-acetylindol-3-yl)prop-2-enylidene]amino]-2-cyanoacetamide?
The InChIKey is CSVQLOLLYDLQHZ-DLRRHIBLSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-12(21)20-11-13(14-6-2-3-7-15(14)20)5-4-10-18-19-16(22)8-9-17/h2-7,10-11H,8H2,1H3,(H,19,22)/b5-4-,18-10?.
What are the key properties of N-[[(Z)-3-(1-acetylindol-3-yl)prop-2-enylidene]amino]-2-cyanoacetamide?
N-[[(Z)-3-(1-acetylindol-3-yl)prop-2-enylidene]amino]-2-cyanoacetamide has a molecular weight of 294.31 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(Z)-3-(1-acetylindol-3-yl)prop-2-enylidene]amino]-2-cyanoacetamide is sourced from PubChem (CID 129437984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).