tert-butyl N-[2-(hydroxymethyl)cyclopent-2-en-1-yl]carbamate

C11H19NO3 — CID 19040175

IUPACtert-butyl N-[2-(hydroxymethyl)cyclopent-2-en-1-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC=C1CO
InChIInChI=1S/C11H19NO3/c1-11(2,3)15-10(14)12-9-6-4-5-8(9)7-13/h5,9,13H,4,6-7H2,1-3H3,(H,12,14)
InChIKeyQLNKDUJAEQTTQZ-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.59
Rot. Bonds2

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

tert-butyl N-[2-(hydroxymethyl)cyclopent-2-en-1-yl]carbamate (PubChem CID 19040175) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is tert-butyl N-[2-(hydroxymethyl)cyclopent-2-en-1-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(hydroxymethyl)cyclopent-2-en-1-yl]carbamate
PubChem CID19040175
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Nametert-butyl N-[2-(hydroxymethyl)cyclopent-2-en-1-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC=C1CO
InChIInChI=1S/C11H19NO3/c1-11(2,3)15-10(14)12-9-6-4-5-8(9)7-13/h5,9,13H,4,6-7H2,1-3H3,(H,12,14)
InChIKeyQLNKDUJAEQTTQZ-UHFFFAOYSA-N
XLogP1.59
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 ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

rac-tert-butyl N-[(1R,4S)-4-hydroxycyclohex-2-en-1-yl]carbamate
CID 21582704
tert-butyl N-((1S,5S)-5-hydroxycyclohex-3-en-1-yl)carbamate
CID 165453947
tert-butyl N-[(1R,5R)-5-hydroxycyclohex-3-en-1-yl]carbamate
CID 165880309
tert-butyl N-[(1S,4R)-4-hydroxycyclohex-2-en-1-yl]carbamate
CID 11413221
Tert-butyl ((1S,4R)-4-hydroxycyclopent-2-EN-1-YL)carbamate
CID 10856477
tert-butyl N-[(1S,2R)-2-hydroxycyclohex-3-en-1-yl]carbamate
CID 131070621
tert-butyl N-[(E)-6-hydroxy-5-methylhex-4-enyl]carbamate
CID 135084335
tert-butyl N-[(E,3R)-3-hydroxy-4-methylhex-4-enyl]carbamate
CID 164675341
Tert-butyl ((1R,4S)-4-hydroxycyclopent-2-EN-1-YL)carbamate
CID 11084836
tert-butyl N-[(E,2S)-3-ethyl-1-hydroxypent-3-en-2-yl]carbamate
CID 11770248
cis-N-(tert-butyloxycarbonyl)-4-hydroxycyclohept-2-enylamine
CID 12153903
2-Methyl-2-propanyl (4-hydroxy-2-cyclohexen-1-yl)carbamate
CID 13294372

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(hydroxymethyl)cyclopent-2-en-1-yl]carbamate?
The IUPAC name of tert-butyl N-[2-(hydroxymethyl)cyclopent-2-en-1-yl]carbamate (CID 19040175) is tert-butyl N-[2-(hydroxymethyl)cyclopent-2-en-1-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(hydroxymethyl)cyclopent-2-en-1-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-(hydroxymethyl)cyclopent-2-en-1-yl]carbamate is CC(C)(C)OC(=O)NC1CCC=C1CO.
What is the InChIKey of tert-butyl N-[2-(hydroxymethyl)cyclopent-2-en-1-yl]carbamate?
The InChIKey is QLNKDUJAEQTTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-11(2,3)15-10(14)12-9-6-4-5-8(9)7-13/h5,9,13H,4,6-7H2,1-3H3,(H,12,14).
What are the key properties of tert-butyl N-[2-(hydroxymethyl)cyclopent-2-en-1-yl]carbamate?
tert-butyl N-[2-(hydroxymethyl)cyclopent-2-en-1-yl]carbamate has a molecular weight of 213.28 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(hydroxymethyl)cyclopent-2-en-1-yl]carbamate is sourced from PubChem (CID 19040175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).