tert-butyl carbamate;cyclobutanol

C9H19NO3 — CID 143474652

IUPACtert-butyl carbamate;cyclobutanol
SMILESCC(C)(C)OC(N)=O.OC1CCC1
InChIInChI=1S/C5H11NO2.C4H8O/c1-5(2,3)8-4(6)7;5-4-2-1-3-4/h1-3H3,(H2,6,7);4-5H,1-3H2
InChIKeyATRPKWPFKBULKX-UHFFFAOYSA-N
MW189.25 g/mol
LogP1.41
Rot. Bonds

About tert-butyl carbamate;cyclobutanol

tert-butyl carbamate;cyclobutanol (PubChem CID 143474652) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is tert-butyl carbamate;cyclobutanol.

Molecular Properties

Compound Nametert-butyl carbamate;cyclobutanol
PubChem CID143474652
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Nametert-butyl carbamate;cyclobutanol
SMILESCC(C)(C)OC(N)=O.OC1CCC1
InChIInChI=1S/C5H11NO2.C4H8O/c1-5(2,3)8-4(6)7;5-4-2-1-3-4/h1-3H3,(H2,6,7);4-5H,1-3H2
InChIKeyATRPKWPFKBULKX-UHFFFAOYSA-N
XLogP1.41
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl carbamate;4-ethylcyclohexan-1-ol
CID 144752449
tert-butyl carbamate;methylcyclohexane
CID 143641656
tert-butyl carbamate;iodomethylcyclobutane
CID 174767644
tert-butyl carbamate;7-oxabicyclo[4.1.0]heptane
CID 174620186
tert-butyl carbamate;molecular nitrogen
CID 176888665
tert-butyl carbamate;cyclopropyne
CID 174661984
1-azabicyclo[2.2.0]hexane;tert-butyl carbamate;hydrochloride
CID 174531198
tert-butyl carbamate;molecular hydrogen;propan-2-ylcyclohexane
CID 142366639
tert-butyl carbamate;1,4-diazabicyclo[2.2.2]octane
CID 130276490
tert-butyl carbamate;(2S)-pyrrolidine-2-carboxylic acid
CID 69016089
4-aminocyclohexane-1-carboxylic acid;tert-butyl carbamate
CID 142197822
tert-butyl 2-[(1S,2R)-2-(hydroxymethyl)cyclopentyl]acetate
CID 165062523

Frequently Asked Questions

What is the IUPAC name of tert-butyl carbamate;cyclobutanol?
The IUPAC name of tert-butyl carbamate;cyclobutanol (CID 143474652) is tert-butyl carbamate;cyclobutanol.
What is the SMILES notation for tert-butyl carbamate;cyclobutanol?
The canonical SMILES for tert-butyl carbamate;cyclobutanol is CC(C)(C)OC(N)=O.OC1CCC1.
What is the InChIKey of tert-butyl carbamate;cyclobutanol?
The InChIKey is ATRPKWPFKBULKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2.C4H8O/c1-5(2,3)8-4(6)7;5-4-2-1-3-4/h1-3H3,(H2,6,7);4-5H,1-3H2.
What are the key properties of tert-butyl carbamate;cyclobutanol?
tert-butyl carbamate;cyclobutanol has a molecular weight of 189.25 g/mol, XLogP of 1.41, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl carbamate;cyclobutanol is sourced from PubChem (CID 143474652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).