methyl N-[(Z)-(1,2-dimethylindol-3-yl)methylideneamino]carbamate

C13H15N3O2 — CID 5399646

IUPACmethyl N-[(Z)-(1,2-dimethylindol-3-yl)methylideneamino]carbamate
SMILESCOC(=O)N/N=C\c1c(C)n(C)c2ccccc12
InChIInChI=1S/C13H15N3O2/c1-9-11(8-14-15-13(17)18-3)10-6-4-5-7-12(10)16(9)2/h4-8H,1-3H3,(H,15,17)/b14-8-
InChIKeyPCAYOTQRWMYSHS-ZSOIEALJSA-N
MW245.28 g/mol
LogP2.18
Rot. Bonds2

About methyl N-[(Z)-(1,2-dimethylindol-3-yl)methylideneamino]carbamate

methyl N-[(Z)-(1,2-dimethylindol-3-yl)methylideneamino]carbamate (PubChem CID 5399646) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is methyl N-[(Z)-(1,2-dimethylindol-3-yl)methylideneamino]carbamate.

Molecular Properties

Compound Namemethyl N-[(Z)-(1,2-dimethylindol-3-yl)methylideneamino]carbamate
PubChem CID5399646
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Namemethyl N-[(Z)-(1,2-dimethylindol-3-yl)methylideneamino]carbamate
SMILESCOC(=O)N/N=C\c1c(C)n(C)c2ccccc12
InChIInChI=1S/C13H15N3O2/c1-9-11(8-14-15-13(17)18-3)10-6-4-5-7-12(10)16(9)2/h4-8H,1-3H3,(H,15,17)/b14-8-
InChIKeyPCAYOTQRWMYSHS-ZSOIEALJSA-N
XLogP2.18
TPSA55.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl N-[(Z)-(1,2-dimethylindol-3-yl)methylideneamino]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Methyl-1H-indole-3-ethylamine
CID 23492
N-[(1,2-dimethylindol-3-yl)methylidene]hydroxylamine
CID 9579933
methyl (2E)-2-{[1-(2-fluorobenzyl)-1H-indol-3-yl]methylidene}hydrazinecarboxylate
CID 6881378
[(E)-(1-methylindol-3-yl)methylideneamino]thiourea
CID 6872412
Ethyl 2-((1H-indol-3-YL)methylene)hydrazinecarboxylate
CID 135400614
ethyl 2-[3-(1,2,3,4-tetrahydro-9H-carbazol-9-yl)propanoyl]hydrazinecarboxylate
CID 1602005
N'-acetyl-3-(1,2,3,4-tetrahydro-9H-carbazol-9-yl)propanehydrazide
CID 3791031
ethyl (2E)-2-{[1-(4-fluorobenzyl)-1H-indol-3-yl]methylidene}hydrazinecarboxylate
CID 6878918
N-[(E)-(1-methylindol-3-yl)methylideneamino]aniline
CID 9669493
methyl (2E)-2-{[1-(2-chlorobenzyl)-1H-indol-3-yl]methylidene}hydrazinecarboxylate
CID 6864443
methyl (2E)-2-{[1-(2,4-dichlorobenzyl)-1H-indol-3-yl]methylidene}hydrazinecarboxylate
CID 6880796
methyl (2E)-2-{[2,5-dimethyl-1-(naphthalen-1-yl)-1H-pyrrol-3-yl]methylidene}hydrazinecarboxylate
CID 6883662

Frequently Asked Questions

What is the IUPAC name of methyl N-[(Z)-(1,2-dimethylindol-3-yl)methylideneamino]carbamate?
The IUPAC name of methyl N-[(Z)-(1,2-dimethylindol-3-yl)methylideneamino]carbamate (CID 5399646) is methyl N-[(Z)-(1,2-dimethylindol-3-yl)methylideneamino]carbamate.
What is the SMILES notation for methyl N-[(Z)-(1,2-dimethylindol-3-yl)methylideneamino]carbamate?
The canonical SMILES for methyl N-[(Z)-(1,2-dimethylindol-3-yl)methylideneamino]carbamate is COC(=O)N/N=C\c1c(C)n(C)c2ccccc12.
What is the InChIKey of methyl N-[(Z)-(1,2-dimethylindol-3-yl)methylideneamino]carbamate?
The InChIKey is PCAYOTQRWMYSHS-ZSOIEALJSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-9-11(8-14-15-13(17)18-3)10-6-4-5-7-12(10)16(9)2/h4-8H,1-3H3,(H,15,17)/b14-8-.
What are the key properties of methyl N-[(Z)-(1,2-dimethylindol-3-yl)methylideneamino]carbamate?
methyl N-[(Z)-(1,2-dimethylindol-3-yl)methylideneamino]carbamate has a molecular weight of 245.28 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(Z)-(1,2-dimethylindol-3-yl)methylideneamino]carbamate is sourced from PubChem (CID 5399646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).