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

C14H21NO2 — CID 101055448

IUPAC6,6-dimethyl-2-pent-4-enyl-1,3a,5,6a-tetrahydrocyclopenta[c]pyrrole-3,4-dione
SMILESC=CCCCN1CC2C(C(=O)CC2(C)C)C1=O
InChIInChI=1S/C14H21NO2/c1-4-5-6-7-15-9-10-12(13(15)17)11(16)8-14(10,2)3/h4,10,12H,1,5-9H2,2-3H3
InChIKeyHFCRDHLQTCYCEA-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.03
Rot. Bonds4

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

6,6-dimethyl-2-pent-4-enyl-1,3a,5,6a-tetrahydrocyclopenta[c]pyrrole-3,4-dione (PubChem CID 101055448) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 6,6-dimethyl-2-pent-4-enyl-1,3a,5,6a-tetrahydrocyclopenta[c]pyrrole-3,4-dione.

Molecular Properties

Compound Name6,6-dimethyl-2-pent-4-enyl-1,3a,5,6a-tetrahydrocyclopenta[c]pyrrole-3,4-dione
PubChem CID101055448
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name6,6-dimethyl-2-pent-4-enyl-1,3a,5,6a-tetrahydrocyclopenta[c]pyrrole-3,4-dione
SMILESC=CCCCN1CC2C(C(=O)CC2(C)C)C1=O
InChIInChI=1S/C14H21NO2/c1-4-5-6-7-15-9-10-12(13(15)17)11(16)8-14(10,2)3/h4,10,12H,1,5-9H2,2-3H3
InChIKeyHFCRDHLQTCYCEA-UHFFFAOYSA-N
XLogP2.03
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-2-pent-4-enyl-1,3a,5,6a-tetrahydrocyclopenta[c]pyrrole-3,4-dione?
The IUPAC name of 6,6-dimethyl-2-pent-4-enyl-1,3a,5,6a-tetrahydrocyclopenta[c]pyrrole-3,4-dione (CID 101055448) is 6,6-dimethyl-2-pent-4-enyl-1,3a,5,6a-tetrahydrocyclopenta[c]pyrrole-3,4-dione.
What is the SMILES notation for 6,6-dimethyl-2-pent-4-enyl-1,3a,5,6a-tetrahydrocyclopenta[c]pyrrole-3,4-dione?
The canonical SMILES for 6,6-dimethyl-2-pent-4-enyl-1,3a,5,6a-tetrahydrocyclopenta[c]pyrrole-3,4-dione is C=CCCCN1CC2C(C(=O)CC2(C)C)C1=O.
What is the InChIKey of 6,6-dimethyl-2-pent-4-enyl-1,3a,5,6a-tetrahydrocyclopenta[c]pyrrole-3,4-dione?
The InChIKey is HFCRDHLQTCYCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-5-6-7-15-9-10-12(13(15)17)11(16)8-14(10,2)3/h4,10,12H,1,5-9H2,2-3H3.
What are the key properties of 6,6-dimethyl-2-pent-4-enyl-1,3a,5,6a-tetrahydrocyclopenta[c]pyrrole-3,4-dione?
6,6-dimethyl-2-pent-4-enyl-1,3a,5,6a-tetrahydrocyclopenta[c]pyrrole-3,4-dione has a molecular weight of 235.33 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-2-pent-4-enyl-1,3a,5,6a-tetrahydrocyclopenta[c]pyrrole-3,4-dione is sourced from PubChem (CID 101055448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).