methyl N-(2-oxo-3,3a,4,6a-tetrahydrocyclopenta[b]furan-3-yl)carbamate

C9H11NO4 — CID 15569862

IUPACmethyl N-(2-oxo-3,3a,4,6a-tetrahydrocyclopenta[b]furan-3-yl)carbamate
SMILESCOC(=O)NC1C(=O)OC2C=CCC21
InChIInChI=1S/C9H11NO4/c1-13-9(12)10-7-5-3-2-4-6(5)14-8(7)11/h2,4-7H,3H2,1H3,(H,10,12)
InChIKeyLRMNSWYMHKPDFS-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.21
Rot. Bonds1

About methyl N-(2-oxo-3,3a,4,6a-tetrahydrocyclopenta[b]furan-3-yl)carbamate

methyl N-(2-oxo-3,3a,4,6a-tetrahydrocyclopenta[b]furan-3-yl)carbamate (PubChem CID 15569862) has the molecular formula C9H11NO4 and a molecular weight of 197.19 g/mol. Its IUPAC name is methyl N-(2-oxo-3,3a,4,6a-tetrahydrocyclopenta[b]furan-3-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(2-oxo-3,3a,4,6a-tetrahydrocyclopenta[b]furan-3-yl)carbamate
PubChem CID15569862
Molecular FormulaC9H11NO4
Molecular Weight197.19 g/mol
Exact Mass197.07
IUPAC Namemethyl N-(2-oxo-3,3a,4,6a-tetrahydrocyclopenta[b]furan-3-yl)carbamate
SMILESCOC(=O)NC1C(=O)OC2C=CCC21
InChIInChI=1S/C9H11NO4/c1-13-9(12)10-7-5-3-2-4-6(5)14-8(7)11/h2,4-7H,3H2,1H3,(H,10,12)
InChIKeyLRMNSWYMHKPDFS-UHFFFAOYSA-N
XLogP0.21
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl N-(2-oxo-3,3a,4,6a-tetrahydrocyclopenta[b]furan-3-yl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl N-(2-oxo-3,3a,4,6a-tetrahydrocyclopenta[b]furan-3-yl)carbamate?
The IUPAC name of methyl N-(2-oxo-3,3a,4,6a-tetrahydrocyclopenta[b]furan-3-yl)carbamate (CID 15569862) is methyl N-(2-oxo-3,3a,4,6a-tetrahydrocyclopenta[b]furan-3-yl)carbamate.
What is the SMILES notation for methyl N-(2-oxo-3,3a,4,6a-tetrahydrocyclopenta[b]furan-3-yl)carbamate?
The canonical SMILES for methyl N-(2-oxo-3,3a,4,6a-tetrahydrocyclopenta[b]furan-3-yl)carbamate is COC(=O)NC1C(=O)OC2C=CCC21.
What is the InChIKey of methyl N-(2-oxo-3,3a,4,6a-tetrahydrocyclopenta[b]furan-3-yl)carbamate?
The InChIKey is LRMNSWYMHKPDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4/c1-13-9(12)10-7-5-3-2-4-6(5)14-8(7)11/h2,4-7H,3H2,1H3,(H,10,12).
What are the key properties of methyl N-(2-oxo-3,3a,4,6a-tetrahydrocyclopenta[b]furan-3-yl)carbamate?
methyl N-(2-oxo-3,3a,4,6a-tetrahydrocyclopenta[b]furan-3-yl)carbamate has a molecular weight of 197.19 g/mol, XLogP of 0.21, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2-oxo-3,3a,4,6a-tetrahydrocyclopenta[b]furan-3-yl)carbamate is sourced from PubChem (CID 15569862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).