tert-butyl N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]carbamate

C11H19NO3 — CID 18453470

IUPACtert-butyl N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1C=C[C@H](CO)C1
InChIInChI=1S/C11H19NO3/c1-11(2,3)15-10(14)12-9-5-4-8(6-9)7-13/h4-5,8-9,13H,6-7H2,1-3H3,(H,12,14)/t8-,9+/m0/s1
InChIKeyMVIWPMBRXBNBDX-DTWKUNHWSA-N
MW213.28 g/mol
LogP1.45
Rot. Bonds2

About tert-butyl N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]carbamate

tert-butyl N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]carbamate (PubChem CID 18453470) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is tert-butyl N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]carbamate
PubChem CID18453470
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Nametert-butyl N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1C=C[C@H](CO)C1
InChIInChI=1S/C11H19NO3/c1-11(2,3)15-10(14)12-9-5-4-8(6-9)7-13/h4-5,8-9,13H,6-7H2,1-3H3,(H,12,14)/t8-,9+/m0/s1
InChIKeyMVIWPMBRXBNBDX-DTWKUNHWSA-N
XLogP1.45
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]carbamate?
The IUPAC name of tert-butyl N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]carbamate (CID 18453470) is tert-butyl N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]carbamate?
The canonical SMILES for tert-butyl N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]carbamate is CC(C)(C)OC(=O)N[C@@H]1C=C[C@H](CO)C1.
What is the InChIKey of tert-butyl N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]carbamate?
The InChIKey is MVIWPMBRXBNBDX-DTWKUNHWSA-N. The full InChI is InChI=1S/C11H19NO3/c1-11(2,3)15-10(14)12-9-5-4-8(6-9)7-13/h4-5,8-9,13H,6-7H2,1-3H3,(H,12,14)/t8-,9+/m0/s1.
What are the key properties of tert-butyl N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]carbamate?
tert-butyl N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]carbamate has a molecular weight of 213.28 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]carbamate is sourced from PubChem (CID 18453470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).