tert-butyl N-(cyclopenten-1-ylamino)carbamate

C10H18N2O2 — CID 2308164

IUPACtert-butyl N-(cyclopenten-1-ylamino)carbamate
SMILESCC(C)(C)OC(=O)NNC1=CCCC1
InChIInChI=1S/C10H18N2O2/c1-10(2,3)14-9(13)12-11-8-6-4-5-7-8/h6,11H,4-5,7H2,1-3H3,(H,12,13)
InChIKeyAOMYVPFREKTMOP-UHFFFAOYSA-N
MW198.27 g/mol
LogP2.08
Rot. Bonds2

About tert-butyl N-(cyclopenten-1-ylamino)carbamate

tert-butyl N-(cyclopenten-1-ylamino)carbamate (PubChem CID 2308164) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is tert-butyl N-(cyclopenten-1-ylamino)carbamate.

Molecular Properties

Compound Nametert-butyl N-(cyclopenten-1-ylamino)carbamate
PubChem CID2308164
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Nametert-butyl N-(cyclopenten-1-ylamino)carbamate
SMILESCC(C)(C)OC(=O)NNC1=CCCC1
InChIInChI=1S/C10H18N2O2/c1-10(2,3)14-9(13)12-11-8-6-4-5-7-8/h6,11H,4-5,7H2,1-3H3,(H,12,13)
InChIKeyAOMYVPFREKTMOP-UHFFFAOYSA-N
XLogP2.08
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(cyclopenten-1-ylamino)carbamate?
The IUPAC name of tert-butyl N-(cyclopenten-1-ylamino)carbamate (CID 2308164) is tert-butyl N-(cyclopenten-1-ylamino)carbamate.
What is the SMILES notation for tert-butyl N-(cyclopenten-1-ylamino)carbamate?
The canonical SMILES for tert-butyl N-(cyclopenten-1-ylamino)carbamate is CC(C)(C)OC(=O)NNC1=CCCC1.
What is the InChIKey of tert-butyl N-(cyclopenten-1-ylamino)carbamate?
The InChIKey is AOMYVPFREKTMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-10(2,3)14-9(13)12-11-8-6-4-5-7-8/h6,11H,4-5,7H2,1-3H3,(H,12,13).
What are the key properties of tert-butyl N-(cyclopenten-1-ylamino)carbamate?
tert-butyl N-(cyclopenten-1-ylamino)carbamate has a molecular weight of 198.27 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(cyclopenten-1-ylamino)carbamate is sourced from PubChem (CID 2308164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).