[3-(oxomethylidene)-4,5,6,6a-tetrahydro-3aH-furo[3,4-c]pyrrol-1-ylidene]methanone

C8H7NO3 — CID 88831004

IUPAC[3-(oxomethylidene)-4,5,6,6a-tetrahydro-3aH-furo[3,4-c]pyrrol-1-ylidene]methanone
SMILESO=C=C1OC(=C=O)C2CNCC12
InChIInChI=1S/C8H7NO3/c10-3-7-5-1-9-2-6(5)8(4-11)12-7/h5-6,9H,1-2H2
InChIKeyMRTTZRCZEPKXER-UHFFFAOYSA-N
MW165.15 g/mol
LogP-0.72
Rot. Bonds

About [3-(oxomethylidene)-4,5,6,6a-tetrahydro-3aH-furo[3,4-c]pyrrol-1-ylidene]methanone

[3-(oxomethylidene)-4,5,6,6a-tetrahydro-3aH-furo[3,4-c]pyrrol-1-ylidene]methanone (PubChem CID 88831004) has the molecular formula C8H7NO3 and a molecular weight of 165.15 g/mol. Its IUPAC name is [3-(oxomethylidene)-4,5,6,6a-tetrahydro-3aH-furo[3,4-c]pyrrol-1-ylidene]methanone.

Molecular Properties

Compound Name[3-(oxomethylidene)-4,5,6,6a-tetrahydro-3aH-furo[3,4-c]pyrrol-1-ylidene]methanone
PubChem CID88831004
Molecular FormulaC8H7NO3
Molecular Weight165.15 g/mol
Exact Mass165.04
IUPAC Name[3-(oxomethylidene)-4,5,6,6a-tetrahydro-3aH-furo[3,4-c]pyrrol-1-ylidene]methanone
SMILESO=C=C1OC(=C=O)C2CNCC12
InChIInChI=1S/C8H7NO3/c10-3-7-5-1-9-2-6(5)8(4-11)12-7/h5-6,9H,1-2H2
InChIKeyMRTTZRCZEPKXER-UHFFFAOYSA-N
XLogP-0.72
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.15
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione;hydrochloride
CID 57476085
5-methyl-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione
CID 14158887
3-isocyanatoazetidine
CID 141192996
5,6,7,7a-tetrahydro-4aH-[1,4]dioxino[2,3-c]pyrrole-2,3-dione
CID 117274137
(3aS,6aR)-5-morpholin-4-yl-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione
CID 46201660
(6aR)-2,3,3a,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-one;hydrochloride
CID 174161312
(3aS,6aR)-2,3,3a,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-one;hydrochloride
CID 154724409
5-propyl-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione
CID 75146557
(3aS,6aS)-3-bromo-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,2]oxazole
CID 124917431
(3aR,7aS)-1,2,3,3a,5,6,7,7a-octahydroisoindol-4-one
CID 55301354
(3aR,6aS)-5-methyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-4-one
CID 118214307
(3aR,6aS)-5-(2-morpholin-4-ylethyl)-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione
CID 46201661

Frequently Asked Questions

What is the IUPAC name of [3-(oxomethylidene)-4,5,6,6a-tetrahydro-3aH-furo[3,4-c]pyrrol-1-ylidene]methanone?
The IUPAC name of [3-(oxomethylidene)-4,5,6,6a-tetrahydro-3aH-furo[3,4-c]pyrrol-1-ylidene]methanone (CID 88831004) is [3-(oxomethylidene)-4,5,6,6a-tetrahydro-3aH-furo[3,4-c]pyrrol-1-ylidene]methanone.
What is the SMILES notation for [3-(oxomethylidene)-4,5,6,6a-tetrahydro-3aH-furo[3,4-c]pyrrol-1-ylidene]methanone?
The canonical SMILES for [3-(oxomethylidene)-4,5,6,6a-tetrahydro-3aH-furo[3,4-c]pyrrol-1-ylidene]methanone is O=C=C1OC(=C=O)C2CNCC12.
What is the InChIKey of [3-(oxomethylidene)-4,5,6,6a-tetrahydro-3aH-furo[3,4-c]pyrrol-1-ylidene]methanone?
The InChIKey is MRTTZRCZEPKXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO3/c10-3-7-5-1-9-2-6(5)8(4-11)12-7/h5-6,9H,1-2H2.
What are the key properties of [3-(oxomethylidene)-4,5,6,6a-tetrahydro-3aH-furo[3,4-c]pyrrol-1-ylidene]methanone?
[3-(oxomethylidene)-4,5,6,6a-tetrahydro-3aH-furo[3,4-c]pyrrol-1-ylidene]methanone has a molecular weight of 165.15 g/mol, XLogP of -0.72, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(oxomethylidene)-4,5,6,6a-tetrahydro-3aH-furo[3,4-c]pyrrol-1-ylidene]methanone is sourced from PubChem (CID 88831004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).