6,6-dimethyl-2-prop-2-enyl-1,3a,5,6a-tetrahydrocyclopenta[c]pyrrole-3,4-dione

C12H17NO2 — CID 101055446

IUPAC6,6-dimethyl-2-prop-2-enyl-1,3a,5,6a-tetrahydrocyclopenta[c]pyrrole-3,4-dione
SMILESC=CCN1CC2C(C(=O)CC2(C)C)C1=O
InChIInChI=1S/C12H17NO2/c1-4-5-13-7-8-10(11(13)15)9(14)6-12(8,2)3/h4,8,10H,1,5-7H2,2-3H3
InChIKeyANIGBQJRACLXLH-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.25
Rot. Bonds2

About 6,6-dimethyl-2-prop-2-enyl-1,3a,5,6a-tetrahydrocyclopenta[c]pyrrole-3,4-dione

6,6-dimethyl-2-prop-2-enyl-1,3a,5,6a-tetrahydrocyclopenta[c]pyrrole-3,4-dione (PubChem CID 101055446) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 6,6-dimethyl-2-prop-2-enyl-1,3a,5,6a-tetrahydrocyclopenta[c]pyrrole-3,4-dione.

Molecular Properties

Compound Name6,6-dimethyl-2-prop-2-enyl-1,3a,5,6a-tetrahydrocyclopenta[c]pyrrole-3,4-dione
PubChem CID101055446
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name6,6-dimethyl-2-prop-2-enyl-1,3a,5,6a-tetrahydrocyclopenta[c]pyrrole-3,4-dione
SMILESC=CCN1CC2C(C(=O)CC2(C)C)C1=O
InChIInChI=1S/C12H17NO2/c1-4-5-13-7-8-10(11(13)15)9(14)6-12(8,2)3/h4,8,10H,1,5-7H2,2-3H3
InChIKeyANIGBQJRACLXLH-UHFFFAOYSA-N
XLogP1.25
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6,6-dimethyl-2-prop-2-enyl-1,3a,5,6a-tetrahydrocyclopenta[c]pyrrole-3,4-dione with MolForge

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

Launch Full Analysis

Related Compounds

(4R,5R)-4-methyl-2-prop-2-enyl-2-azaspiro[4.4]nonane-1,9-dione
CID 10856676
(3aS,6aS)-3a-acetyl-2-tert-butyl-4-methylidene-1,5,6,6a-tetrahydrocyclopenta[c]pyrrol-3-one
CID 102348539
(3aS,6aR)-3a-acetyl-5-(chloromethyl)-2-prop-2-enyl-4,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-3-one
CID 135045174
(4S,5R)-4-methyl-2-prop-2-enyl-2-azaspiro[4.5]decane-1,6-dione
CID 10987824
(4R,5R)-4-methyl-2-prop-2-enyl-2-azaspiro[4.5]decane-1,6-dione
CID 14413604
2-But-3-enyl-6,6-dimethyl-1,3a,5,6a-tetrahydrocyclopenta[c]pyrrole-3,4-dione
CID 101055447
2-Hex-5-enyl-6,6-dimethyl-1,3a,5,6a-tetrahydrocyclopenta[c]pyrrole-3,4-dione
CID 101055449
(4R,5R)-4,8,8-trimethyl-2-prop-2-enyl-2-azaspiro[4.4]nonane-1,9-dione
CID 101704281
7,7-Dimethyl-4-methylidene-2-prop-2-enyl-2-azaspiro[4.4]nonane-1,9-dione
CID 10537597
(4S,5R)-4-methyl-2-prop-2-enyl-2-azaspiro[4.4]nonane-1,9-dione
CID 11745827
2-Tert-butyl-6,6-dimethyl-1,3a,5,6a-tetrahydrocyclopenta[c]pyrrole-3,4-dione
CID 15548471
6,6-Dimethyl-2-pent-4-enyl-1,3a,5,6a-tetrahydrocyclopenta[c]pyrrole-3,4-dione
CID 101055448

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-2-prop-2-enyl-1,3a,5,6a-tetrahydrocyclopenta[c]pyrrole-3,4-dione?
The IUPAC name of 6,6-dimethyl-2-prop-2-enyl-1,3a,5,6a-tetrahydrocyclopenta[c]pyrrole-3,4-dione (CID 101055446) is 6,6-dimethyl-2-prop-2-enyl-1,3a,5,6a-tetrahydrocyclopenta[c]pyrrole-3,4-dione.
What is the SMILES notation for 6,6-dimethyl-2-prop-2-enyl-1,3a,5,6a-tetrahydrocyclopenta[c]pyrrole-3,4-dione?
The canonical SMILES for 6,6-dimethyl-2-prop-2-enyl-1,3a,5,6a-tetrahydrocyclopenta[c]pyrrole-3,4-dione is C=CCN1CC2C(C(=O)CC2(C)C)C1=O.
What is the InChIKey of 6,6-dimethyl-2-prop-2-enyl-1,3a,5,6a-tetrahydrocyclopenta[c]pyrrole-3,4-dione?
The InChIKey is ANIGBQJRACLXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-4-5-13-7-8-10(11(13)15)9(14)6-12(8,2)3/h4,8,10H,1,5-7H2,2-3H3.
What are the key properties of 6,6-dimethyl-2-prop-2-enyl-1,3a,5,6a-tetrahydrocyclopenta[c]pyrrole-3,4-dione?
6,6-dimethyl-2-prop-2-enyl-1,3a,5,6a-tetrahydrocyclopenta[c]pyrrole-3,4-dione has a molecular weight of 207.27 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-2-prop-2-enyl-1,3a,5,6a-tetrahydrocyclopenta[c]pyrrole-3,4-dione is sourced from PubChem (CID 101055446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).