tert-butyl N-[(1R)-3-cyanocyclopent-2-en-1-yl]carbamate

C11H16N2O2 — CID 118685831

IUPACtert-butyl N-[(1R)-3-cyanocyclopent-2-en-1-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1C=C(C#N)CC1
InChIInChI=1S/C11H16N2O2/c1-11(2,3)15-10(14)13-9-5-4-8(6-9)7-12/h6,9H,4-5H2,1-3H3,(H,13,14)/t9-/m1/s1
InChIKeyKYYWEUNSFOYUGT-SECBINFHSA-N
MW208.26 g/mol
LogP2.12
Rot. Bonds1

About tert-butyl N-[(1R)-3-cyanocyclopent-2-en-1-yl]carbamate

tert-butyl N-[(1R)-3-cyanocyclopent-2-en-1-yl]carbamate (PubChem CID 118685831) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is tert-butyl N-[(1R)-3-cyanocyclopent-2-en-1-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-3-cyanocyclopent-2-en-1-yl]carbamate
PubChem CID118685831
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Nametert-butyl N-[(1R)-3-cyanocyclopent-2-en-1-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1C=C(C#N)CC1
InChIInChI=1S/C11H16N2O2/c1-11(2,3)15-10(14)13-9-5-4-8(6-9)7-12/h6,9H,4-5H2,1-3H3,(H,13,14)/t9-/m1/s1
InChIKeyKYYWEUNSFOYUGT-SECBINFHSA-N
XLogP2.12
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopenten-1-yl]-pentylphosphinic acid
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-3-cyanocyclopent-2-en-1-yl]carbamate?
The IUPAC name of tert-butyl N-[(1R)-3-cyanocyclopent-2-en-1-yl]carbamate (CID 118685831) is tert-butyl N-[(1R)-3-cyanocyclopent-2-en-1-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R)-3-cyanocyclopent-2-en-1-yl]carbamate?
The canonical SMILES for tert-butyl N-[(1R)-3-cyanocyclopent-2-en-1-yl]carbamate is CC(C)(C)OC(=O)N[C@H]1C=C(C#N)CC1.
What is the InChIKey of tert-butyl N-[(1R)-3-cyanocyclopent-2-en-1-yl]carbamate?
The InChIKey is KYYWEUNSFOYUGT-SECBINFHSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-11(2,3)15-10(14)13-9-5-4-8(6-9)7-12/h6,9H,4-5H2,1-3H3,(H,13,14)/t9-/m1/s1.
What are the key properties of tert-butyl N-[(1R)-3-cyanocyclopent-2-en-1-yl]carbamate?
tert-butyl N-[(1R)-3-cyanocyclopent-2-en-1-yl]carbamate has a molecular weight of 208.26 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R)-3-cyanocyclopent-2-en-1-yl]carbamate is sourced from PubChem (CID 118685831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).