2-cyano-N-[(1-prop-2-enylindol-3-yl)methylideneamino]acetamide

C15H14N4O — CID 962771

IUPAC2-cyano-N-[(1-prop-2-enylindol-3-yl)methylideneamino]acetamide
SMILESC=CCn1cc(C=NNC(=O)CC#N)c2ccccc21
InChIInChI=1S/C15H14N4O/c1-2-9-19-11-12(10-17-18-15(20)7-8-16)13-5-3-4-6-14(13)19/h2-6,10-11H,1,7,9H2,(H,18,20)
InChIKeyCHCRMZPFLGSEMT-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.19
Rot. Bonds5

About 2-cyano-N-[(1-prop-2-enylindol-3-yl)methylideneamino]acetamide

2-cyano-N-[(1-prop-2-enylindol-3-yl)methylideneamino]acetamide (PubChem CID 962771) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-cyano-N-[(1-prop-2-enylindol-3-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-cyano-N-[(1-prop-2-enylindol-3-yl)methylideneamino]acetamide
PubChem CID962771
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name2-cyano-N-[(1-prop-2-enylindol-3-yl)methylideneamino]acetamide
SMILESC=CCn1cc(C=NNC(=O)CC#N)c2ccccc21
InChIInChI=1S/C15H14N4O/c1-2-9-19-11-12(10-17-18-15(20)7-8-16)13-5-3-4-6-14(13)19/h2-6,10-11H,1,7,9H2,(H,18,20)
InChIKeyCHCRMZPFLGSEMT-UHFFFAOYSA-N
XLogP2.19
TPSA70.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-[(Z)-[1-[(2-cyanophenyl)methyl]indol-3-yl]methylideneamino]acetamide
CID 5424462
2-(4-fluoroanilino)-N-[(Z)-(1-prop-2-enylindol-3-yl)methylideneamino]acetamide
CID 126366968
2-(2-methyl-1,3-dioxolan-2-yl)-N-[(E)-(1-prop-2-enylindol-3-yl)methylideneamino]acetamide
CID 21370420
2-bromo-N-[(Z)-(1-prop-2-enylindol-3-yl)methylideneamino]benzamide
CID 29146968
2-methyl-N-[(E)-(1-prop-2-enylindol-3-yl)methylideneamino]benzamide
CID 19060951
N-[(Z)-[1-(2-cyanoethyl)indol-3-yl]methylideneamino]benzamide
CID 9058755
1-(2-methylphenyl)-3-[(1-prop-2-enylindol-3-yl)methylideneamino]urea
CID 4238174
N-[(Z)-(1-prop-2-enylindol-3-yl)methylideneamino]-4-propoxybenzamide
CID 92658957
(E)-2-benzoyl-3-(1-prop-2-enylindol-3-yl)prop-2-enenitrile
CID 6296082
N-[[1-(cyanomethyl)indol-3-yl]methylideneamino]naphthalene-2-carboxamide
CID 3429535
2-phenyl-N-[(Z)-(1-prop-2-ynylindol-3-yl)methylideneamino]acetamide
CID 126364361

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(1-prop-2-enylindol-3-yl)methylideneamino]acetamide?
The IUPAC name of 2-cyano-N-[(1-prop-2-enylindol-3-yl)methylideneamino]acetamide (CID 962771) is 2-cyano-N-[(1-prop-2-enylindol-3-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-cyano-N-[(1-prop-2-enylindol-3-yl)methylideneamino]acetamide?
The canonical SMILES for 2-cyano-N-[(1-prop-2-enylindol-3-yl)methylideneamino]acetamide is C=CCn1cc(C=NNC(=O)CC#N)c2ccccc21.
What is the InChIKey of 2-cyano-N-[(1-prop-2-enylindol-3-yl)methylideneamino]acetamide?
The InChIKey is CHCRMZPFLGSEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-2-9-19-11-12(10-17-18-15(20)7-8-16)13-5-3-4-6-14(13)19/h2-6,10-11H,1,7,9H2,(H,18,20).
What are the key properties of 2-cyano-N-[(1-prop-2-enylindol-3-yl)methylideneamino]acetamide?
2-cyano-N-[(1-prop-2-enylindol-3-yl)methylideneamino]acetamide has a molecular weight of 266.30 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(1-prop-2-enylindol-3-yl)methylideneamino]acetamide is sourced from PubChem (CID 962771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).