2-pyridin-2-ylpropan-2-yl carbamate

C9H12N2O2 — CID 67418657

IUPAC2-pyridin-2-ylpropan-2-yl carbamate
SMILESCC(C)(OC(N)=O)c1ccccn1
InChIInChI=1S/C9H12N2O2/c1-9(2,13-8(10)12)7-5-3-4-6-11-7/h3-6H,1-2H3,(H2,10,12)
InChIKeyWCNHIWWIFIZFDV-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.41
Rot. Bonds2

About 2-pyridin-2-ylpropan-2-yl carbamate

2-pyridin-2-ylpropan-2-yl carbamate (PubChem CID 67418657) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-pyridin-2-ylpropan-2-yl carbamate.

Molecular Properties

Compound Name2-pyridin-2-ylpropan-2-yl carbamate
PubChem CID67418657
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name2-pyridin-2-ylpropan-2-yl carbamate
SMILESCC(C)(OC(N)=O)c1ccccn1
InChIInChI=1S/C9H12N2O2/c1-9(2,13-8(10)12)7-5-3-4-6-11-7/h3-6H,1-2H3,(H2,10,12)
InChIKeyWCNHIWWIFIZFDV-UHFFFAOYSA-N
XLogP1.41
TPSA65.21 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 ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-fluoro-1-pyridin-2-ylethyl) carbamate
CID 66697846
2-(2,2-dimethylpropyl)-4,4-dimethyl-2-pyridin-2-ylpentanamide
CID 3054960
methyl 2-methyl-2-pyridin-2-ylpropanoate
CID 58077167
tert-butyl carbamate;pyridine-2-carboxamide
CID 175209186
2-(2-pyridin-2-ylpropan-2-yloxy)ethanol
CID 141291865
3-methyl-3-pyridin-2-ylbutanamide
CID 67998308
2-(carbamoylamino)-2-pyridin-2-ylpropanoic acid
CID 70071240
trimethyl(2-pyridin-2-ylpropan-2-yloxy)silane
CID 157386063
2-amino-2-pyridin-2-ylpropanoic acid
CID 4241373
tert-butyl N-(4-amino-2-pyridin-2-ylbutan-2-yl)carbamate
CID 83693743
2-phenylpropan-2-yl carbamate;triazine
CID 175317110
methyl (2R)-2-(methylamino)-2-pyridin-2-ylpropanoate
CID 93309846

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-ylpropan-2-yl carbamate?
The IUPAC name of 2-pyridin-2-ylpropan-2-yl carbamate (CID 67418657) is 2-pyridin-2-ylpropan-2-yl carbamate.
What is the SMILES notation for 2-pyridin-2-ylpropan-2-yl carbamate?
The canonical SMILES for 2-pyridin-2-ylpropan-2-yl carbamate is CC(C)(OC(N)=O)c1ccccn1.
What is the InChIKey of 2-pyridin-2-ylpropan-2-yl carbamate?
The InChIKey is WCNHIWWIFIZFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-9(2,13-8(10)12)7-5-3-4-6-11-7/h3-6H,1-2H3,(H2,10,12).
What are the key properties of 2-pyridin-2-ylpropan-2-yl carbamate?
2-pyridin-2-ylpropan-2-yl carbamate has a molecular weight of 180.21 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-ylpropan-2-yl carbamate is sourced from PubChem (CID 67418657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).