tert-butyl N-[1-(2-oxobut-3-enyl)cyclopentyl]carbamate

C14H23NO3 — CID 165465025

IUPACtert-butyl N-[1-(2-oxobut-3-enyl)cyclopentyl]carbamate
SMILESC=CC(=O)CC1(NC(=O)OC(C)(C)C)CCCC1
InChIInChI=1S/C14H23NO3/c1-5-11(16)10-14(8-6-7-9-14)15-12(17)18-13(2,3)4/h5H,1,6-10H2,2-4H3,(H,15,17)
InChIKeyCXDRFIZADAIOEB-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.97
Rot. Bonds4

About tert-butyl N-[1-(2-oxobut-3-enyl)cyclopentyl]carbamate

tert-butyl N-[1-(2-oxobut-3-enyl)cyclopentyl]carbamate (PubChem CID 165465025) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is tert-butyl N-[1-(2-oxobut-3-enyl)cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(2-oxobut-3-enyl)cyclopentyl]carbamate
PubChem CID165465025
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Nametert-butyl N-[1-(2-oxobut-3-enyl)cyclopentyl]carbamate
SMILESC=CC(=O)CC1(NC(=O)OC(C)(C)C)CCCC1
InChIInChI=1S/C14H23NO3/c1-5-11(16)10-14(8-6-7-9-14)15-12(17)18-13(2,3)4/h5H,1,6-10H2,2-4H3,(H,15,17)
InChIKeyCXDRFIZADAIOEB-UHFFFAOYSA-N
XLogP2.97
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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tert-butyl N-[1-(3-hydroxypropyl)cyclohexyl]carbamate
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tert-butyl [1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]methyl carbonate
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tert-butyl N-[1-[4-(methylamino)butyl]cyclohexyl]carbamate
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(E)-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]but-2-enoic acid
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tert-butyl N-(3-ethylpiperidin-3-yl)carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(2-oxobut-3-enyl)cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[1-(2-oxobut-3-enyl)cyclopentyl]carbamate (CID 165465025) is tert-butyl N-[1-(2-oxobut-3-enyl)cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(2-oxobut-3-enyl)cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(2-oxobut-3-enyl)cyclopentyl]carbamate is C=CC(=O)CC1(NC(=O)OC(C)(C)C)CCCC1.
What is the InChIKey of tert-butyl N-[1-(2-oxobut-3-enyl)cyclopentyl]carbamate?
The InChIKey is CXDRFIZADAIOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-5-11(16)10-14(8-6-7-9-14)15-12(17)18-13(2,3)4/h5H,1,6-10H2,2-4H3,(H,15,17).
What are the key properties of tert-butyl N-[1-(2-oxobut-3-enyl)cyclopentyl]carbamate?
tert-butyl N-[1-(2-oxobut-3-enyl)cyclopentyl]carbamate has a molecular weight of 253.34 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(2-oxobut-3-enyl)cyclopentyl]carbamate is sourced from PubChem (CID 165465025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).