tert-butyl N-[2-(cyclopenten-1-yl)-2-oxoethyl]carbamate

C12H19NO3 — CID 71146356

IUPACtert-butyl N-[2-(cyclopenten-1-yl)-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)C1=CCCC1
InChIInChI=1S/C12H19NO3/c1-12(2,3)16-11(15)13-8-10(14)9-6-4-5-7-9/h6H,4-5,7-8H2,1-3H3,(H,13,15)
InChIKeyOVQXMBLXIVUFGU-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.19
Rot. Bonds3

About tert-butyl N-[2-(cyclopenten-1-yl)-2-oxoethyl]carbamate

tert-butyl N-[2-(cyclopenten-1-yl)-2-oxoethyl]carbamate (PubChem CID 71146356) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is tert-butyl N-[2-(cyclopenten-1-yl)-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(cyclopenten-1-yl)-2-oxoethyl]carbamate
PubChem CID71146356
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Nametert-butyl N-[2-(cyclopenten-1-yl)-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)C1=CCCC1
InChIInChI=1S/C12H19NO3/c1-12(2,3)16-11(15)13-8-10(14)9-6-4-5-7-9/h6H,4-5,7-8H2,1-3H3,(H,13,15)
InChIKeyOVQXMBLXIVUFGU-UHFFFAOYSA-N
XLogP2.19
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(cyclopenten-1-yl)-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(cyclopenten-1-yl)-2-oxoethyl]carbamate (CID 71146356) is tert-butyl N-[2-(cyclopenten-1-yl)-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(cyclopenten-1-yl)-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(cyclopenten-1-yl)-2-oxoethyl]carbamate is CC(C)(C)OC(=O)NCC(=O)C1=CCCC1.
What is the InChIKey of tert-butyl N-[2-(cyclopenten-1-yl)-2-oxoethyl]carbamate?
The InChIKey is OVQXMBLXIVUFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-12(2,3)16-11(15)13-8-10(14)9-6-4-5-7-9/h6H,4-5,7-8H2,1-3H3,(H,13,15).
What are the key properties of tert-butyl N-[2-(cyclopenten-1-yl)-2-oxoethyl]carbamate?
tert-butyl N-[2-(cyclopenten-1-yl)-2-oxoethyl]carbamate has a molecular weight of 225.29 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(cyclopenten-1-yl)-2-oxoethyl]carbamate is sourced from PubChem (CID 71146356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).