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

C15H17N3O — CID 126015839

IUPACN-[(Z)-(2-methyl-1-prop-2-enylindol-3-yl)methylideneamino]acetamide
SMILESC=CCn1c(C)c(/C=N\NC(C)=O)c2ccccc21
InChIInChI=1S/C15H17N3O/c1-4-9-18-11(2)14(10-16-17-12(3)19)13-7-5-6-8-15(13)18/h4-8,10H,1,9H2,2-3H3,(H,17,19)/b16-10-
InChIKeyCKCZNGCFAQMMCN-YBEGLDIGSA-N
MW255.32 g/mol
LogP2.61
Rot. Bonds4

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

N-[(Z)-(2-methyl-1-prop-2-enylindol-3-yl)methylideneamino]acetamide (PubChem CID 126015839) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is N-[(Z)-(2-methyl-1-prop-2-enylindol-3-yl)methylideneamino]acetamide.

Molecular Properties

Compound NameN-[(Z)-(2-methyl-1-prop-2-enylindol-3-yl)methylideneamino]acetamide
PubChem CID126015839
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC NameN-[(Z)-(2-methyl-1-prop-2-enylindol-3-yl)methylideneamino]acetamide
SMILESC=CCn1c(C)c(/C=N\NC(C)=O)c2ccccc21
InChIInChI=1S/C15H17N3O/c1-4-9-18-11(2)14(10-16-17-12(3)19)13-7-5-6-8-15(13)18/h4-8,10H,1,9H2,2-3H3,(H,17,19)/b16-10-
InChIKeyCKCZNGCFAQMMCN-YBEGLDIGSA-N
XLogP2.61
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2-(4-chlorophenyl)-N-[(E)-(2-methyl-1-prop-2-enylindol-3-yl)methylideneamino]acetamide
CID 21379856
2-(4-methoxyphenyl)-N-[(E)-(2-methyl-1-prop-2-enylindol-3-yl)methylideneamino]acetamide
CID 21370835
2,4-dimethoxy-N-[(2-methyl-1-prop-2-enylindol-3-yl)methylideneamino]benzamide
CID 5135447
N-[(Z)-[1-[(2-cyanophenyl)methyl]-2-methylindol-3-yl]methylideneamino]acetamide
CID 126025553
(1R,2S,6S,7R)-4-[(Z)-(2-methyl-1-prop-2-enylindol-3-yl)methylideneamino]-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 126179695
2-amino-N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]benzamide
CID 110512126
2-bromo-N-[(E)-(1-ethyl-2-methylindol-3-yl)methylideneamino]benzamide
CID 17245319
[(1-ethyl-2-methylindol-3-yl)methylideneamino]thiourea
CID 3642739
(Z)-2-cyano-3-(2-methyl-1-prop-2-enylindol-3-yl)-N-propan-2-ylprop-2-enamide
CID 798433
N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 126259376
(1S,2R,6R,7S,8S,10R)-4-[(Z)-(2-methyl-1-prop-2-enylindol-3-yl)methylideneamino]-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione
CID 124763654
(1S,2R,6S,7S,8R,10S)-4-[(Z)-(2-methyl-1-prop-2-enylindol-3-yl)methylideneamino]-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione
CID 124763656

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-methyl-1-prop-2-enylindol-3-yl)methylideneamino]acetamide?
The IUPAC name of N-[(Z)-(2-methyl-1-prop-2-enylindol-3-yl)methylideneamino]acetamide (CID 126015839) is N-[(Z)-(2-methyl-1-prop-2-enylindol-3-yl)methylideneamino]acetamide.
What is the SMILES notation for N-[(Z)-(2-methyl-1-prop-2-enylindol-3-yl)methylideneamino]acetamide?
The canonical SMILES for N-[(Z)-(2-methyl-1-prop-2-enylindol-3-yl)methylideneamino]acetamide is C=CCn1c(C)c(/C=N\NC(C)=O)c2ccccc21.
What is the InChIKey of N-[(Z)-(2-methyl-1-prop-2-enylindol-3-yl)methylideneamino]acetamide?
The InChIKey is CKCZNGCFAQMMCN-YBEGLDIGSA-N. The full InChI is InChI=1S/C15H17N3O/c1-4-9-18-11(2)14(10-16-17-12(3)19)13-7-5-6-8-15(13)18/h4-8,10H,1,9H2,2-3H3,(H,17,19)/b16-10-.
What are the key properties of N-[(Z)-(2-methyl-1-prop-2-enylindol-3-yl)methylideneamino]acetamide?
N-[(Z)-(2-methyl-1-prop-2-enylindol-3-yl)methylideneamino]acetamide has a molecular weight of 255.32 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-methyl-1-prop-2-enylindol-3-yl)methylideneamino]acetamide is sourced from PubChem (CID 126015839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).