cyclopenten-1-ylmethyl N,N-di(propan-2-yl)carbamate

C13H23NO2 — CID 10878841

IUPACcyclopenten-1-ylmethyl N,N-di(propan-2-yl)carbamate
SMILESCC(C)N(C(=O)OCC1=CCCC1)C(C)C
InChIInChI=1S/C13H23NO2/c1-10(2)14(11(3)4)13(15)16-9-12-7-5-6-8-12/h7,10-11H,5-6,8-9H2,1-4H3
InChIKeyQQSXBKSDNNDBJG-UHFFFAOYSA-N
MW225.33 g/mol
LogP3.35
Rot. Bonds4

About cyclopenten-1-ylmethyl N,N-di(propan-2-yl)carbamate

cyclopenten-1-ylmethyl N,N-di(propan-2-yl)carbamate (PubChem CID 10878841) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is cyclopenten-1-ylmethyl N,N-di(propan-2-yl)carbamate.

Molecular Properties

Compound Namecyclopenten-1-ylmethyl N,N-di(propan-2-yl)carbamate
PubChem CID10878841
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Namecyclopenten-1-ylmethyl N,N-di(propan-2-yl)carbamate
SMILESCC(C)N(C(=O)OCC1=CCCC1)C(C)C
InChIInChI=1S/C13H23NO2/c1-10(2)14(11(3)4)13(15)16-9-12-7-5-6-8-12/h7,10-11H,5-6,8-9H2,1-4H3
InChIKeyQQSXBKSDNNDBJG-UHFFFAOYSA-N
XLogP3.35
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 cyclopenten-1-ylmethyl N,N-di(propan-2-yl)carbamate?
The IUPAC name of cyclopenten-1-ylmethyl N,N-di(propan-2-yl)carbamate (CID 10878841) is cyclopenten-1-ylmethyl N,N-di(propan-2-yl)carbamate.
What is the SMILES notation for cyclopenten-1-ylmethyl N,N-di(propan-2-yl)carbamate?
The canonical SMILES for cyclopenten-1-ylmethyl N,N-di(propan-2-yl)carbamate is CC(C)N(C(=O)OCC1=CCCC1)C(C)C.
What is the InChIKey of cyclopenten-1-ylmethyl N,N-di(propan-2-yl)carbamate?
The InChIKey is QQSXBKSDNNDBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-10(2)14(11(3)4)13(15)16-9-12-7-5-6-8-12/h7,10-11H,5-6,8-9H2,1-4H3.
What are the key properties of cyclopenten-1-ylmethyl N,N-di(propan-2-yl)carbamate?
cyclopenten-1-ylmethyl N,N-di(propan-2-yl)carbamate has a molecular weight of 225.33 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenten-1-ylmethyl N,N-di(propan-2-yl)carbamate is sourced from PubChem (CID 10878841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).