tert-butyl N-(1-methyl-3-oxocyclopentyl)carbamate

C11H19NO3 — CID 126970299

IUPACtert-butyl N-(1-methyl-3-oxocyclopentyl)carbamate
SMILESCC1(NC(=O)OC(C)(C)C)CCC(=O)C1
InChIInChI=1S/C11H19NO3/c1-10(2,3)15-9(14)12-11(4)6-5-8(13)7-11/h5-7H2,1-4H3,(H,12,14)
InChIKeyOZNDNCZRIIVTBA-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.02
Rot. Bonds1

About tert-butyl N-(1-methyl-3-oxocyclopentyl)carbamate

tert-butyl N-(1-methyl-3-oxocyclopentyl)carbamate (PubChem CID 126970299) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is tert-butyl N-(1-methyl-3-oxocyclopentyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-methyl-3-oxocyclopentyl)carbamate
PubChem CID126970299
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Nametert-butyl N-(1-methyl-3-oxocyclopentyl)carbamate
SMILESCC1(NC(=O)OC(C)(C)C)CCC(=O)C1
InChIInChI=1S/C11H19NO3/c1-10(2,3)15-9(14)12-11(4)6-5-8(13)7-11/h5-7H2,1-4H3,(H,12,14)
InChIKeyOZNDNCZRIIVTBA-UHFFFAOYSA-N
XLogP2.02
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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tert-butyl N-[(1S)-1-(3,3-dimethylpentyl)-3-oxocyclopentyl]carbamate
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1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxocyclopropane-1-carboxylic acid
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tert-butyl N-(1,1-dihydroxy-3-methylthietan-3-yl)carbamate
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tert-butyl 4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-methyl-3-oxocyclopentyl)carbamate?
The IUPAC name of tert-butyl N-(1-methyl-3-oxocyclopentyl)carbamate (CID 126970299) is tert-butyl N-(1-methyl-3-oxocyclopentyl)carbamate.
What is the SMILES notation for tert-butyl N-(1-methyl-3-oxocyclopentyl)carbamate?
The canonical SMILES for tert-butyl N-(1-methyl-3-oxocyclopentyl)carbamate is CC1(NC(=O)OC(C)(C)C)CCC(=O)C1.
What is the InChIKey of tert-butyl N-(1-methyl-3-oxocyclopentyl)carbamate?
The InChIKey is OZNDNCZRIIVTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-10(2,3)15-9(14)12-11(4)6-5-8(13)7-11/h5-7H2,1-4H3,(H,12,14).
What are the key properties of tert-butyl N-(1-methyl-3-oxocyclopentyl)carbamate?
tert-butyl N-(1-methyl-3-oxocyclopentyl)carbamate has a molecular weight of 213.28 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-methyl-3-oxocyclopentyl)carbamate is sourced from PubChem (CID 126970299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).