(1S,4R)-1,4-dihydroxycyclopent-2-ene-1-carboxamide

C6H9NO3 — CID 14806438

IUPAC(1S,4R)-1,4-dihydroxycyclopent-2-ene-1-carboxamide
SMILESNC(=O)[C@@]1(O)C=C[C@H](O)C1
InChIInChI=1S/C6H9NO3/c7-5(9)6(10)2-1-4(8)3-6/h1-2,4,8,10H,3H2,(H2,7,9)/t4-,6+/m0/s1
InChIKeyOTFXVMDBYXRDHC-UJURSFKZSA-N
MW143.14 g/mol
LogP-1.48
Rot. Bonds1

About (1S,4R)-1,4-dihydroxycyclopent-2-ene-1-carboxamide

(1S,4R)-1,4-dihydroxycyclopent-2-ene-1-carboxamide (PubChem CID 14806438) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is (1S,4R)-1,4-dihydroxycyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name(1S,4R)-1,4-dihydroxycyclopent-2-ene-1-carboxamide
PubChem CID14806438
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name(1S,4R)-1,4-dihydroxycyclopent-2-ene-1-carboxamide
SMILESNC(=O)[C@@]1(O)C=C[C@H](O)C1
InChIInChI=1S/C6H9NO3/c7-5(9)6(10)2-1-4(8)3-6/h1-2,4,8,10H,3H2,(H2,7,9)/t4-,6+/m0/s1
InChIKeyOTFXVMDBYXRDHC-UJURSFKZSA-N
XLogP-1.48
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 5-1.48
H-Bond Donors ≤ 53
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 (1S,4R)-1,4-dihydroxycyclopent-2-ene-1-carboxamide?
The IUPAC name of (1S,4R)-1,4-dihydroxycyclopent-2-ene-1-carboxamide (CID 14806438) is (1S,4R)-1,4-dihydroxycyclopent-2-ene-1-carboxamide.
What is the SMILES notation for (1S,4R)-1,4-dihydroxycyclopent-2-ene-1-carboxamide?
The canonical SMILES for (1S,4R)-1,4-dihydroxycyclopent-2-ene-1-carboxamide is NC(=O)[C@@]1(O)C=C[C@H](O)C1.
What is the InChIKey of (1S,4R)-1,4-dihydroxycyclopent-2-ene-1-carboxamide?
The InChIKey is OTFXVMDBYXRDHC-UJURSFKZSA-N. The full InChI is InChI=1S/C6H9NO3/c7-5(9)6(10)2-1-4(8)3-6/h1-2,4,8,10H,3H2,(H2,7,9)/t4-,6+/m0/s1.
What are the key properties of (1S,4R)-1,4-dihydroxycyclopent-2-ene-1-carboxamide?
(1S,4R)-1,4-dihydroxycyclopent-2-ene-1-carboxamide has a molecular weight of 143.14 g/mol, XLogP of -1.48, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R)-1,4-dihydroxycyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 14806438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).