methyl N-[(2-methyl-1H-indol-3-yl)methyl]carbamate

C12H14N2O2 — CID 110782329

IUPACmethyl N-[(2-methyl-1H-indol-3-yl)methyl]carbamate
SMILESCOC(=O)NCc1c(C)[nH]c2ccccc12
InChIInChI=1S/C12H14N2O2/c1-8-10(7-13-12(15)16-2)9-5-3-4-6-11(9)14-8/h3-6,14H,7H2,1-2H3,(H,13,15)
InChIKeyBELSAUNTQSGITN-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.33
Rot. Bonds2

About methyl N-[(2-methyl-1H-indol-3-yl)methyl]carbamate

methyl N-[(2-methyl-1H-indol-3-yl)methyl]carbamate (PubChem CID 110782329) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is methyl N-[(2-methyl-1H-indol-3-yl)methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(2-methyl-1H-indol-3-yl)methyl]carbamate
PubChem CID110782329
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Namemethyl N-[(2-methyl-1H-indol-3-yl)methyl]carbamate
SMILESCOC(=O)NCc1c(C)[nH]c2ccccc12
InChIInChI=1S/C12H14N2O2/c1-8-10(7-13-12(15)16-2)9-5-3-4-6-11(9)14-8/h3-6,14H,7H2,1-2H3,(H,13,15)
InChIKeyBELSAUNTQSGITN-UHFFFAOYSA-N
XLogP2.33
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

phenyl N-[(2-methyl-1H-indol-3-yl)methyl]carbamate
CID 110782331
1-methyl-3-[(2-methyl-1H-indol-3-yl)methyl]urea
CID 115169132
N-[(2-methyl-1H-indol-3-yl)methyl]-2-phenoxyacetamide
CID 110782317
1-[(2-methyl-1H-indol-3-yl)methyl]-3-propylurea
CID 110775099
4-amino-N-[(2-methyl-1H-indol-3-yl)methyl]butanamide
CID 115155288
N-[(2-methyl-1H-indol-3-yl)methyl]thiophene-2-carboxamide
CID 110782300
2-(cyclopropylamino)-N-[(2-methyl-1H-indol-3-yl)methyl]acetamide
CID 115158454
2-(hydroxymethyl)-N-[(2-methyl-1H-indol-3-yl)methyl]butanamide
CID 115186562
methyl 4-(2-methyl-1H-indol-3-yl)butanoate
CID 10609557
N-[(2-methoxyphenyl)methyl]-2-(2-methyl-1H-indol-3-yl)acetamide
CID 31886769
2-(2-methyl-1H-indol-3-yl)ethylcarbamic acid
CID 115171128
methyl 2-[(2-methyl-1H-indol-3-yl)methyl]prop-2-enoate
CID 15946262

Frequently Asked Questions

What is the IUPAC name of methyl N-[(2-methyl-1H-indol-3-yl)methyl]carbamate?
The IUPAC name of methyl N-[(2-methyl-1H-indol-3-yl)methyl]carbamate (CID 110782329) is methyl N-[(2-methyl-1H-indol-3-yl)methyl]carbamate.
What is the SMILES notation for methyl N-[(2-methyl-1H-indol-3-yl)methyl]carbamate?
The canonical SMILES for methyl N-[(2-methyl-1H-indol-3-yl)methyl]carbamate is COC(=O)NCc1c(C)[nH]c2ccccc12.
What is the InChIKey of methyl N-[(2-methyl-1H-indol-3-yl)methyl]carbamate?
The InChIKey is BELSAUNTQSGITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-8-10(7-13-12(15)16-2)9-5-3-4-6-11(9)14-8/h3-6,14H,7H2,1-2H3,(H,13,15).
What are the key properties of methyl N-[(2-methyl-1H-indol-3-yl)methyl]carbamate?
methyl N-[(2-methyl-1H-indol-3-yl)methyl]carbamate has a molecular weight of 218.26 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2-methyl-1H-indol-3-yl)methyl]carbamate is sourced from PubChem (CID 110782329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).