tert-butyl N-[2-[(E)-2-(diethylamino)ethenyl]cyclopenten-1-yl]carbamate

C16H28N2O2 — CID 142472351

IUPACtert-butyl N-[2-[(E)-2-(diethylamino)ethenyl]cyclopenten-1-yl]carbamate
SMILESCCN(/C=C/C1=C(NC(=O)OC(C)(C)C)CCC1)CC
InChIInChI=1S/C16H28N2O2/c1-6-18(7-2)12-11-13-9-8-10-14(13)17-15(19)20-16(3,4)5/h11-12H,6-10H2,1-5H3,(H,17,19)/b12-11+
InChIKeyHRHZKKYJHSZQOG-VAWYXSNFSA-N
MW280.41 g/mol
LogP3.80
Rot. Bonds5

About tert-butyl N-[2-[(E)-2-(diethylamino)ethenyl]cyclopenten-1-yl]carbamate

tert-butyl N-[2-[(E)-2-(diethylamino)ethenyl]cyclopenten-1-yl]carbamate (PubChem CID 142472351) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is tert-butyl N-[2-[(E)-2-(diethylamino)ethenyl]cyclopenten-1-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(E)-2-(diethylamino)ethenyl]cyclopenten-1-yl]carbamate
PubChem CID142472351
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Nametert-butyl N-[2-[(E)-2-(diethylamino)ethenyl]cyclopenten-1-yl]carbamate
SMILESCCN(/C=C/C1=C(NC(=O)OC(C)(C)C)CCC1)CC
InChIInChI=1S/C16H28N2O2/c1-6-18(7-2)12-11-13-9-8-10-14(13)17-15(19)20-16(3,4)5/h11-12H,6-10H2,1-5H3,(H,17,19)/b12-11+
InChIKeyHRHZKKYJHSZQOG-VAWYXSNFSA-N
XLogP3.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(E)-2-(diethylamino)ethenyl]cyclopenten-1-yl]carbamate?
The IUPAC name of tert-butyl N-[2-[(E)-2-(diethylamino)ethenyl]cyclopenten-1-yl]carbamate (CID 142472351) is tert-butyl N-[2-[(E)-2-(diethylamino)ethenyl]cyclopenten-1-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(E)-2-(diethylamino)ethenyl]cyclopenten-1-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(E)-2-(diethylamino)ethenyl]cyclopenten-1-yl]carbamate is CCN(/C=C/C1=C(NC(=O)OC(C)(C)C)CCC1)CC.
What is the InChIKey of tert-butyl N-[2-[(E)-2-(diethylamino)ethenyl]cyclopenten-1-yl]carbamate?
The InChIKey is HRHZKKYJHSZQOG-VAWYXSNFSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-6-18(7-2)12-11-13-9-8-10-14(13)17-15(19)20-16(3,4)5/h11-12H,6-10H2,1-5H3,(H,17,19)/b12-11+.
What are the key properties of tert-butyl N-[2-[(E)-2-(diethylamino)ethenyl]cyclopenten-1-yl]carbamate?
tert-butyl N-[2-[(E)-2-(diethylamino)ethenyl]cyclopenten-1-yl]carbamate has a molecular weight of 280.41 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(E)-2-(diethylamino)ethenyl]cyclopenten-1-yl]carbamate is sourced from PubChem (CID 142472351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).