tert-butyl N-[3-(cyclopenten-1-yl)-2-oxopropyl]-N-methylcarbamate

C14H23NO3 — CID 165471310

IUPACtert-butyl N-[3-(cyclopenten-1-yl)-2-oxopropyl]-N-methylcarbamate
SMILESCN(CC(=O)CC1=CCCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C14H23NO3/c1-14(2,3)18-13(17)15(4)10-12(16)9-11-7-5-6-8-11/h7H,5-6,8-10H2,1-4H3
InChIKeyJUMUOGWJBXLPME-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.92
Rot. Bonds4

About tert-butyl N-[3-(cyclopenten-1-yl)-2-oxopropyl]-N-methylcarbamate

tert-butyl N-[3-(cyclopenten-1-yl)-2-oxopropyl]-N-methylcarbamate (PubChem CID 165471310) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is tert-butyl N-[3-(cyclopenten-1-yl)-2-oxopropyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(cyclopenten-1-yl)-2-oxopropyl]-N-methylcarbamate
PubChem CID165471310
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Nametert-butyl N-[3-(cyclopenten-1-yl)-2-oxopropyl]-N-methylcarbamate
SMILESCN(CC(=O)CC1=CCCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C14H23NO3/c1-14(2,3)18-13(17)15(4)10-12(16)9-11-7-5-6-8-11/h7H,5-6,8-10H2,1-4H3
InChIKeyJUMUOGWJBXLPME-UHFFFAOYSA-N
XLogP2.92
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.92
H-Bond Donors ≤ 50
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-(3-cyclobutyl-2-oxopropyl)-N-methylcarbamate
CID 165466706
tert-butyl N-methyl-N-[3-(methylamino)-2-oxopropyl]carbamate
CID 84681796
tert-butyl 2-(1,2,3,4,7,8-hexahydroazocin-6-yl)acetate
CID 163455770
tert-butyl N-(cyclohexen-1-ylmethyl)-N-[(E)-3-oxobut-1-enyl]carbamate
CID 11737550
ethyl 4-(cyclopenten-1-yl)-3-oxobutanoate
CID 154212044
methyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate;propane
CID 142813889
tert-butyl N-[1-(cyclopenten-1-yl)propan-2-yl]carbamate
CID 170129188
tert-butyl N-(2-bromo-2,2-difluoroethyl)-N-methylcarbamate
CID 130561064
potassium 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
CID 140930688
tert-butyl N-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylcarbamate
CID 10775467
tert-butyl N-(4-cyclopropyl-2-oxopentyl)-N-methylcarbamate
CID 165471374
tert-butyl N-[3-(2-ethylcyclopropyl)-2-oxopropyl]-N-methylcarbamate
CID 165465296

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(cyclopenten-1-yl)-2-oxopropyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[3-(cyclopenten-1-yl)-2-oxopropyl]-N-methylcarbamate (CID 165471310) is tert-butyl N-[3-(cyclopenten-1-yl)-2-oxopropyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[3-(cyclopenten-1-yl)-2-oxopropyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[3-(cyclopenten-1-yl)-2-oxopropyl]-N-methylcarbamate is CN(CC(=O)CC1=CCCC1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-(cyclopenten-1-yl)-2-oxopropyl]-N-methylcarbamate?
The InChIKey is JUMUOGWJBXLPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-14(2,3)18-13(17)15(4)10-12(16)9-11-7-5-6-8-11/h7H,5-6,8-10H2,1-4H3.
What are the key properties of tert-butyl N-[3-(cyclopenten-1-yl)-2-oxopropyl]-N-methylcarbamate?
tert-butyl N-[3-(cyclopenten-1-yl)-2-oxopropyl]-N-methylcarbamate has a molecular weight of 253.34 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(cyclopenten-1-yl)-2-oxopropyl]-N-methylcarbamate is sourced from PubChem (CID 165471310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).