1H-isoquinolin-2-yl carbamate

C10H10N2O2 — CID 151878845

IUPAC1H-isoquinolin-2-yl carbamate
SMILESNC(=O)ON1C=Cc2ccccc2C1
InChIInChI=1S/C10H10N2O2/c11-10(13)14-12-6-5-8-3-1-2-4-9(8)7-12/h1-6H,7H2,(H2,11,13)
InChIKeySOGSNSRYCOCWJL-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.48
Rot. Bonds1

About 1H-isoquinolin-2-yl carbamate

1H-isoquinolin-2-yl carbamate (PubChem CID 151878845) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 1H-isoquinolin-2-yl carbamate.

Molecular Properties

Compound Name1H-isoquinolin-2-yl carbamate
PubChem CID151878845
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name1H-isoquinolin-2-yl carbamate
SMILESNC(=O)ON1C=Cc2ccccc2C1
InChIInChI=1S/C10H10N2O2/c11-10(13)14-12-6-5-8-3-1-2-4-9(8)7-12/h1-6H,7H2,(H2,11,13)
InChIKeySOGSNSRYCOCWJL-UHFFFAOYSA-N
XLogP1.48
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1H-isoquinolin-2-yl carbamate?
The IUPAC name of 1H-isoquinolin-2-yl carbamate (CID 151878845) is 1H-isoquinolin-2-yl carbamate.
What is the SMILES notation for 1H-isoquinolin-2-yl carbamate?
The canonical SMILES for 1H-isoquinolin-2-yl carbamate is NC(=O)ON1C=Cc2ccccc2C1.
What is the InChIKey of 1H-isoquinolin-2-yl carbamate?
The InChIKey is SOGSNSRYCOCWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c11-10(13)14-12-6-5-8-3-1-2-4-9(8)7-12/h1-6H,7H2,(H2,11,13).
What are the key properties of 1H-isoquinolin-2-yl carbamate?
1H-isoquinolin-2-yl carbamate has a molecular weight of 190.20 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-isoquinolin-2-yl carbamate is sourced from PubChem (CID 151878845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).