tert-butyl N-(4-cyclopent-3-en-1-yl-3-oxobutyl)carbamate

C14H23NO3 — CID 165464358

IUPACtert-butyl N-(4-cyclopent-3-en-1-yl-3-oxobutyl)carbamate
SMILESCC(C)(C)OC(=O)NCCC(=O)CC1CC=CC1
InChIInChI=1S/C14H23NO3/c1-14(2,3)18-13(17)15-9-8-12(16)10-11-6-4-5-7-11/h4-5,11H,6-10H2,1-3H3,(H,15,17)
InChIKeyBIIOKBGYXZPMGE-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.83
Rot. Bonds5

About tert-butyl N-(4-cyclopent-3-en-1-yl-3-oxobutyl)carbamate

tert-butyl N-(4-cyclopent-3-en-1-yl-3-oxobutyl)carbamate (PubChem CID 165464358) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is tert-butyl N-(4-cyclopent-3-en-1-yl-3-oxobutyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-cyclopent-3-en-1-yl-3-oxobutyl)carbamate
PubChem CID165464358
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Nametert-butyl N-(4-cyclopent-3-en-1-yl-3-oxobutyl)carbamate
SMILESCC(C)(C)OC(=O)NCCC(=O)CC1CC=CC1
InChIInChI=1S/C14H23NO3/c1-14(2,3)18-13(17)15-9-8-12(16)10-11-6-4-5-7-11/h4-5,11H,6-10H2,1-3H3,(H,15,17)
InChIKeyBIIOKBGYXZPMGE-UHFFFAOYSA-N
XLogP2.83
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(4-chloro-3-oxobutyl)carbamate
CID 104700691
tert-butyl N-(4-amino-3-oxobutyl)carbamate
CID 96619413
8-[(2-methylpropan-2-yl)oxycarbonylamino]-3,6-dioxooctanoic acid
CID 175573604
tert-butyl N-(3-cyclobutyl-3-oxopropyl)carbamate
CID 66787499
tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
CID 22668023
methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 11687095
tert-butyl N-(3-hydroxybut-3-enyl)carbamate
CID 45091853
3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;molecular hydrogen
CID 143124264
tert-butyl N-[3-(cyclopropylamino)-3-oxopropyl]carbamate
CID 24688554
tert-butyl N-[3-(3,3-dimethylcyclobutyl)-2-oxopropyl]carbamate
CID 165470962
tert-butyl N-(2,3-dihydrothiophen-2-ylmethyl)carbamate
CID 71132747
tert-butyl N-[(1R,6S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohex-3-en-1-yl]carbamate
CID 58822264

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-cyclopent-3-en-1-yl-3-oxobutyl)carbamate?
The IUPAC name of tert-butyl N-(4-cyclopent-3-en-1-yl-3-oxobutyl)carbamate (CID 165464358) is tert-butyl N-(4-cyclopent-3-en-1-yl-3-oxobutyl)carbamate.
What is the SMILES notation for tert-butyl N-(4-cyclopent-3-en-1-yl-3-oxobutyl)carbamate?
The canonical SMILES for tert-butyl N-(4-cyclopent-3-en-1-yl-3-oxobutyl)carbamate is CC(C)(C)OC(=O)NCCC(=O)CC1CC=CC1.
What is the InChIKey of tert-butyl N-(4-cyclopent-3-en-1-yl-3-oxobutyl)carbamate?
The InChIKey is BIIOKBGYXZPMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-14(2,3)18-13(17)15-9-8-12(16)10-11-6-4-5-7-11/h4-5,11H,6-10H2,1-3H3,(H,15,17).
What are the key properties of tert-butyl N-(4-cyclopent-3-en-1-yl-3-oxobutyl)carbamate?
tert-butyl N-(4-cyclopent-3-en-1-yl-3-oxobutyl)carbamate has a molecular weight of 253.34 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-cyclopent-3-en-1-yl-3-oxobutyl)carbamate is sourced from PubChem (CID 165464358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).