propan-2-yl N-(2-methylcyclobutyl)carbamate

C9H17NO2 — CID 126981468

IUPACpropan-2-yl N-(2-methylcyclobutyl)carbamate
SMILESCC(C)OC(=O)NC1CCC1C
InChIInChI=1S/C9H17NO2/c1-6(2)12-9(11)10-8-5-4-7(8)3/h6-8H,4-5H2,1-3H3,(H,10,11)
InChIKeyJWPADQKHNAWOQW-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.92
Rot. Bonds2

About propan-2-yl N-(2-methylcyclobutyl)carbamate

propan-2-yl N-(2-methylcyclobutyl)carbamate (PubChem CID 126981468) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is propan-2-yl N-(2-methylcyclobutyl)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-(2-methylcyclobutyl)carbamate
PubChem CID126981468
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Namepropan-2-yl N-(2-methylcyclobutyl)carbamate
SMILESCC(C)OC(=O)NC1CCC1C
InChIInChI=1S/C9H17NO2/c1-6(2)12-9(11)10-8-5-4-7(8)3/h6-8H,4-5H2,1-3H3,(H,10,11)
InChIKeyJWPADQKHNAWOQW-UHFFFAOYSA-N
XLogP1.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-(2-methylcyclobutyl)carbamate?
The IUPAC name of propan-2-yl N-(2-methylcyclobutyl)carbamate (CID 126981468) is propan-2-yl N-(2-methylcyclobutyl)carbamate.
What is the SMILES notation for propan-2-yl N-(2-methylcyclobutyl)carbamate?
The canonical SMILES for propan-2-yl N-(2-methylcyclobutyl)carbamate is CC(C)OC(=O)NC1CCC1C.
What is the InChIKey of propan-2-yl N-(2-methylcyclobutyl)carbamate?
The InChIKey is JWPADQKHNAWOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-6(2)12-9(11)10-8-5-4-7(8)3/h6-8H,4-5H2,1-3H3,(H,10,11).
What are the key properties of propan-2-yl N-(2-methylcyclobutyl)carbamate?
propan-2-yl N-(2-methylcyclobutyl)carbamate has a molecular weight of 171.24 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(2-methylcyclobutyl)carbamate is sourced from PubChem (CID 126981468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).