propan-2-yl N-(oxan-4-yl)carbamate

C9H17NO3 — CID 58469300

IUPACpropan-2-yl N-(oxan-4-yl)carbamate
SMILESCC(C)OC(=O)NC1CCOCC1
InChIInChI=1S/C9H17NO3/c1-7(2)13-9(11)10-8-3-5-12-6-4-8/h7-8H,3-6H2,1-2H3,(H,10,11)
InChIKeyDUGKONPAKIXODV-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.30
Rot. Bonds2

About propan-2-yl N-(oxan-4-yl)carbamate

propan-2-yl N-(oxan-4-yl)carbamate (PubChem CID 58469300) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is propan-2-yl N-(oxan-4-yl)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-(oxan-4-yl)carbamate
PubChem CID58469300
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Namepropan-2-yl N-(oxan-4-yl)carbamate
SMILESCC(C)OC(=O)NC1CCOCC1
InChIInChI=1S/C9H17NO3/c1-7(2)13-9(11)10-8-3-5-12-6-4-8/h7-8H,3-6H2,1-2H3,(H,10,11)
InChIKeyDUGKONPAKIXODV-UHFFFAOYSA-N
XLogP1.30
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-(oxan-4-yl)carbamate?
The IUPAC name of propan-2-yl N-(oxan-4-yl)carbamate (CID 58469300) is propan-2-yl N-(oxan-4-yl)carbamate.
What is the SMILES notation for propan-2-yl N-(oxan-4-yl)carbamate?
The canonical SMILES for propan-2-yl N-(oxan-4-yl)carbamate is CC(C)OC(=O)NC1CCOCC1.
What is the InChIKey of propan-2-yl N-(oxan-4-yl)carbamate?
The InChIKey is DUGKONPAKIXODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-7(2)13-9(11)10-8-3-5-12-6-4-8/h7-8H,3-6H2,1-2H3,(H,10,11).
What are the key properties of propan-2-yl N-(oxan-4-yl)carbamate?
propan-2-yl N-(oxan-4-yl)carbamate has a molecular weight of 187.24 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(oxan-4-yl)carbamate is sourced from PubChem (CID 58469300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).