tert-butyl N-[[1-(cyclopent-3-ene-1-carbonyl)pyrrolidin-2-yl]methyl]-N-methylcarbamate

C17H28N2O3 — CID 71870548

IUPACtert-butyl N-[[1-(cyclopent-3-ene-1-carbonyl)pyrrolidin-2-yl]methyl]-N-methylcarbamate
SMILESCN(CC1CCCN1C(=O)C1CC=CC1)C(=O)OC(C)(C)C
InChIInChI=1S/C17H28N2O3/c1-17(2,3)22-16(21)18(4)12-14-10-7-11-19(14)15(20)13-8-5-6-9-13/h5-6,13-14H,7-12H2,1-4H3
InChIKeyGOGSNOMQWRHVGO-UHFFFAOYSA-N
MW308.42 g/mol
LogP2.81
Rot. Bonds3

About tert-butyl N-[[1-(cyclopent-3-ene-1-carbonyl)pyrrolidin-2-yl]methyl]-N-methylcarbamate

tert-butyl N-[[1-(cyclopent-3-ene-1-carbonyl)pyrrolidin-2-yl]methyl]-N-methylcarbamate (PubChem CID 71870548) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is tert-butyl N-[[1-(cyclopent-3-ene-1-carbonyl)pyrrolidin-2-yl]methyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[[1-(cyclopent-3-ene-1-carbonyl)pyrrolidin-2-yl]methyl]-N-methylcarbamate
PubChem CID71870548
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Nametert-butyl N-[[1-(cyclopent-3-ene-1-carbonyl)pyrrolidin-2-yl]methyl]-N-methylcarbamate
SMILESCN(CC1CCCN1C(=O)C1CC=CC1)C(=O)OC(C)(C)C
InChIInChI=1S/C17H28N2O3/c1-17(2,3)22-16(21)18(4)12-14-10-7-11-19(14)15(20)13-8-5-6-9-13/h5-6,13-14H,7-12H2,1-4H3
InChIKeyGOGSNOMQWRHVGO-UHFFFAOYSA-N
XLogP2.81
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-(cyclopent-3-ene-1-carbonyl)pyrrolidin-2-yl]methyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[[1-(cyclopent-3-ene-1-carbonyl)pyrrolidin-2-yl]methyl]-N-methylcarbamate (CID 71870548) is tert-butyl N-[[1-(cyclopent-3-ene-1-carbonyl)pyrrolidin-2-yl]methyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[[1-(cyclopent-3-ene-1-carbonyl)pyrrolidin-2-yl]methyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[[1-(cyclopent-3-ene-1-carbonyl)pyrrolidin-2-yl]methyl]-N-methylcarbamate is CN(CC1CCCN1C(=O)C1CC=CC1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[1-(cyclopent-3-ene-1-carbonyl)pyrrolidin-2-yl]methyl]-N-methylcarbamate?
The InChIKey is GOGSNOMQWRHVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-17(2,3)22-16(21)18(4)12-14-10-7-11-19(14)15(20)13-8-5-6-9-13/h5-6,13-14H,7-12H2,1-4H3.
What are the key properties of tert-butyl N-[[1-(cyclopent-3-ene-1-carbonyl)pyrrolidin-2-yl]methyl]-N-methylcarbamate?
tert-butyl N-[[1-(cyclopent-3-ene-1-carbonyl)pyrrolidin-2-yl]methyl]-N-methylcarbamate has a molecular weight of 308.42 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[1-(cyclopent-3-ene-1-carbonyl)pyrrolidin-2-yl]methyl]-N-methylcarbamate is sourced from PubChem (CID 71870548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).