tert-butyl-(3-methylcyclopent-3-en-1-yl)carbamic acid

C11H19NO2 — CID 66962003

IUPACtert-butyl-(3-methylcyclopent-3-en-1-yl)carbamic acid
SMILESCC1=CCC(N(C(=O)O)C(C)(C)C)C1
InChIInChI=1S/C11H19NO2/c1-8-5-6-9(7-8)12(10(13)14)11(2,3)4/h5,9H,6-7H2,1-4H3,(H,13,14)
InChIKeyNVPJJNMLWRYDGF-UHFFFAOYSA-N
MW197.28 g/mol
LogP2.87
Rot. Bonds1

About tert-butyl-(3-methylcyclopent-3-en-1-yl)carbamic acid

tert-butyl-(3-methylcyclopent-3-en-1-yl)carbamic acid (PubChem CID 66962003) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is tert-butyl-(3-methylcyclopent-3-en-1-yl)carbamic acid.

Molecular Properties

Compound Nametert-butyl-(3-methylcyclopent-3-en-1-yl)carbamic acid
PubChem CID66962003
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Nametert-butyl-(3-methylcyclopent-3-en-1-yl)carbamic acid
SMILESCC1=CCC(N(C(=O)O)C(C)(C)C)C1
InChIInChI=1S/C11H19NO2/c1-8-5-6-9(7-8)12(10(13)14)11(2,3)4/h5,9H,6-7H2,1-4H3,(H,13,14)
InChIKeyNVPJJNMLWRYDGF-UHFFFAOYSA-N
XLogP2.87
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-(3-methylcyclopent-3-en-1-yl)carbamic acid?
The IUPAC name of tert-butyl-(3-methylcyclopent-3-en-1-yl)carbamic acid (CID 66962003) is tert-butyl-(3-methylcyclopent-3-en-1-yl)carbamic acid.
What is the SMILES notation for tert-butyl-(3-methylcyclopent-3-en-1-yl)carbamic acid?
The canonical SMILES for tert-butyl-(3-methylcyclopent-3-en-1-yl)carbamic acid is CC1=CCC(N(C(=O)O)C(C)(C)C)C1.
What is the InChIKey of tert-butyl-(3-methylcyclopent-3-en-1-yl)carbamic acid?
The InChIKey is NVPJJNMLWRYDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-8-5-6-9(7-8)12(10(13)14)11(2,3)4/h5,9H,6-7H2,1-4H3,(H,13,14).
What are the key properties of tert-butyl-(3-methylcyclopent-3-en-1-yl)carbamic acid?
tert-butyl-(3-methylcyclopent-3-en-1-yl)carbamic acid has a molecular weight of 197.28 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(3-methylcyclopent-3-en-1-yl)carbamic acid is sourced from PubChem (CID 66962003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).