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

C15H26N2O3 — CID 86650115

IUPACtert-butyl N-[(1S,4R)-4-(morpholin-4-ylmethyl)cyclopent-2-en-1-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1C=C[C@H](CN2CCOCC2)C1
InChIInChI=1S/C15H26N2O3/c1-15(2,3)20-14(18)16-13-5-4-12(10-13)11-17-6-8-19-9-7-17/h4-5,12-13H,6-11H2,1-3H3,(H,16,18)/t12-,13+/m0/s1
InChIKeyRJXMUWDTWHMXJS-QWHCGFSZSA-N
MW282.38 g/mol
LogP1.79
Rot. Bonds3

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

tert-butyl N-[(1S,4R)-4-(morpholin-4-ylmethyl)cyclopent-2-en-1-yl]carbamate (PubChem CID 86650115) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is tert-butyl N-[(1S,4R)-4-(morpholin-4-ylmethyl)cyclopent-2-en-1-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S,4R)-4-(morpholin-4-ylmethyl)cyclopent-2-en-1-yl]carbamate
PubChem CID86650115
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Nametert-butyl N-[(1S,4R)-4-(morpholin-4-ylmethyl)cyclopent-2-en-1-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1C=C[C@H](CN2CCOCC2)C1
InChIInChI=1S/C15H26N2O3/c1-15(2,3)20-14(18)16-13-5-4-12(10-13)11-17-6-8-19-9-7-17/h4-5,12-13H,6-11H2,1-3H3,(H,16,18)/t12-,13+/m0/s1
InChIKeyRJXMUWDTWHMXJS-QWHCGFSZSA-N
XLogP1.79
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(morpholin-4-ylmethyl)cyclopent-2-en-1-yl]carbamate?
The IUPAC name of tert-butyl N-[(1S,4R)-4-(morpholin-4-ylmethyl)cyclopent-2-en-1-yl]carbamate (CID 86650115) is tert-butyl N-[(1S,4R)-4-(morpholin-4-ylmethyl)cyclopent-2-en-1-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S,4R)-4-(morpholin-4-ylmethyl)cyclopent-2-en-1-yl]carbamate?
The canonical SMILES for tert-butyl N-[(1S,4R)-4-(morpholin-4-ylmethyl)cyclopent-2-en-1-yl]carbamate is CC(C)(C)OC(=O)N[C@@H]1C=C[C@H](CN2CCOCC2)C1.
What is the InChIKey of tert-butyl N-[(1S,4R)-4-(morpholin-4-ylmethyl)cyclopent-2-en-1-yl]carbamate?
The InChIKey is RJXMUWDTWHMXJS-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-15(2,3)20-14(18)16-13-5-4-12(10-13)11-17-6-8-19-9-7-17/h4-5,12-13H,6-11H2,1-3H3,(H,16,18)/t12-,13+/m0/s1.
What are the key properties of tert-butyl N-[(1S,4R)-4-(morpholin-4-ylmethyl)cyclopent-2-en-1-yl]carbamate?
tert-butyl N-[(1S,4R)-4-(morpholin-4-ylmethyl)cyclopent-2-en-1-yl]carbamate has a molecular weight of 282.38 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S,4R)-4-(morpholin-4-ylmethyl)cyclopent-2-en-1-yl]carbamate is sourced from PubChem (CID 86650115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).