pyridin-3-yl N-propan-2-ylcarbamate

C9H12N2O2 — CID 66557840

IUPACpyridin-3-yl N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)Oc1cccnc1
InChIInChI=1S/C9H12N2O2/c1-7(2)11-9(12)13-8-4-3-5-10-6-8/h3-7H,1-2H3,(H,11,12)
InChIKeyXPGPLILIEAXOQL-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.58
Rot. Bonds2

About pyridin-3-yl N-propan-2-ylcarbamate

pyridin-3-yl N-propan-2-ylcarbamate (PubChem CID 66557840) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is pyridin-3-yl N-propan-2-ylcarbamate.

Molecular Properties

Compound Namepyridin-3-yl N-propan-2-ylcarbamate
PubChem CID66557840
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Namepyridin-3-yl N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)Oc1cccnc1
InChIInChI=1S/C9H12N2O2/c1-7(2)11-9(12)13-8-4-3-5-10-6-8/h3-7H,1-2H3,(H,11,12)
InChIKeyXPGPLILIEAXOQL-UHFFFAOYSA-N
XLogP1.58
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyridin-3-yl N-propan-2-ylcarbamate?
The IUPAC name of pyridin-3-yl N-propan-2-ylcarbamate (CID 66557840) is pyridin-3-yl N-propan-2-ylcarbamate.
What is the SMILES notation for pyridin-3-yl N-propan-2-ylcarbamate?
The canonical SMILES for pyridin-3-yl N-propan-2-ylcarbamate is CC(C)NC(=O)Oc1cccnc1.
What is the InChIKey of pyridin-3-yl N-propan-2-ylcarbamate?
The InChIKey is XPGPLILIEAXOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-7(2)11-9(12)13-8-4-3-5-10-6-8/h3-7H,1-2H3,(H,11,12).
What are the key properties of pyridin-3-yl N-propan-2-ylcarbamate?
pyridin-3-yl N-propan-2-ylcarbamate has a molecular weight of 180.21 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-yl N-propan-2-ylcarbamate is sourced from PubChem (CID 66557840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).