tert-butyl N-(1-methylcyclopent-3-en-1-yl)carbamate

C11H19NO2 — CID 169494715

IUPACtert-butyl N-(1-methylcyclopent-3-en-1-yl)carbamate
SMILESCC1(NC(=O)OC(C)(C)C)CC=CC1
InChIInChI=1S/C11H19NO2/c1-10(2,3)14-9(13)12-11(4)7-5-6-8-11/h5-6H,7-8H2,1-4H3,(H,12,13)
InChIKeyFBYSFPFCNQCQCL-UHFFFAOYSA-N
MW197.28 g/mol
LogP2.62
Rot. Bonds1

About tert-butyl N-(1-methylcyclopent-3-en-1-yl)carbamate

tert-butyl N-(1-methylcyclopent-3-en-1-yl)carbamate (PubChem CID 169494715) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is tert-butyl N-(1-methylcyclopent-3-en-1-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-methylcyclopent-3-en-1-yl)carbamate
PubChem CID169494715
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Nametert-butyl N-(1-methylcyclopent-3-en-1-yl)carbamate
SMILESCC1(NC(=O)OC(C)(C)C)CC=CC1
InChIInChI=1S/C11H19NO2/c1-10(2,3)14-9(13)12-11(4)7-5-6-8-11/h5-6H,7-8H2,1-4H3,(H,12,13)
InChIKeyFBYSFPFCNQCQCL-UHFFFAOYSA-N
XLogP2.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-methylcyclopent-3-en-1-yl)carbamate?
The IUPAC name of tert-butyl N-(1-methylcyclopent-3-en-1-yl)carbamate (CID 169494715) is tert-butyl N-(1-methylcyclopent-3-en-1-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1-methylcyclopent-3-en-1-yl)carbamate?
The canonical SMILES for tert-butyl N-(1-methylcyclopent-3-en-1-yl)carbamate is CC1(NC(=O)OC(C)(C)C)CC=CC1.
What is the InChIKey of tert-butyl N-(1-methylcyclopent-3-en-1-yl)carbamate?
The InChIKey is FBYSFPFCNQCQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-10(2,3)14-9(13)12-11(4)7-5-6-8-11/h5-6H,7-8H2,1-4H3,(H,12,13).
What are the key properties of tert-butyl N-(1-methylcyclopent-3-en-1-yl)carbamate?
tert-butyl N-(1-methylcyclopent-3-en-1-yl)carbamate has a molecular weight of 197.28 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-methylcyclopent-3-en-1-yl)carbamate is sourced from PubChem (CID 169494715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).