methyl N-[(5-chloro-1H-indol-2-yl)methyl]carbamate

C11H11ClN2O2 — CID 1245948

IUPACmethyl N-[(5-chloro-1H-indol-2-yl)methyl]carbamate
SMILESCOC(=O)NCc1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C11H11ClN2O2/c1-16-11(15)13-6-9-5-7-4-8(12)2-3-10(7)14-9/h2-5,14H,6H2,1H3,(H,13,15)
InChIKeyQRTRNLVWHLPBJY-UHFFFAOYSA-N
MW238.67 g/mol
LogP2.68
Rot. Bonds2

About methyl N-[(5-chloro-1H-indol-2-yl)methyl]carbamate

methyl N-[(5-chloro-1H-indol-2-yl)methyl]carbamate (PubChem CID 1245948) has the molecular formula C11H11ClN2O2 and a molecular weight of 238.67 g/mol. Its IUPAC name is methyl N-[(5-chloro-1H-indol-2-yl)methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(5-chloro-1H-indol-2-yl)methyl]carbamate
PubChem CID1245948
Molecular FormulaC11H11ClN2O2
Molecular Weight238.67 g/mol
Exact Mass238.05
IUPAC Namemethyl N-[(5-chloro-1H-indol-2-yl)methyl]carbamate
SMILESCOC(=O)NCc1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C11H11ClN2O2/c1-16-11(15)13-6-9-5-7-4-8(12)2-3-10(7)14-9/h2-5,14H,6H2,1H3,(H,13,15)
InChIKeyQRTRNLVWHLPBJY-UHFFFAOYSA-N
XLogP2.68
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.67
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl N-[(5-chloro-1H-indol-2-yl)methyl]carbamate?
The IUPAC name of methyl N-[(5-chloro-1H-indol-2-yl)methyl]carbamate (CID 1245948) is methyl N-[(5-chloro-1H-indol-2-yl)methyl]carbamate.
What is the SMILES notation for methyl N-[(5-chloro-1H-indol-2-yl)methyl]carbamate?
The canonical SMILES for methyl N-[(5-chloro-1H-indol-2-yl)methyl]carbamate is COC(=O)NCc1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of methyl N-[(5-chloro-1H-indol-2-yl)methyl]carbamate?
The InChIKey is QRTRNLVWHLPBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2/c1-16-11(15)13-6-9-5-7-4-8(12)2-3-10(7)14-9/h2-5,14H,6H2,1H3,(H,13,15).
What are the key properties of methyl N-[(5-chloro-1H-indol-2-yl)methyl]carbamate?
methyl N-[(5-chloro-1H-indol-2-yl)methyl]carbamate has a molecular weight of 238.67 g/mol, XLogP of 2.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(5-chloro-1H-indol-2-yl)methyl]carbamate is sourced from PubChem (CID 1245948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).