(6aR)-4-methyl-2-prop-2-enyl-1,3,6,6a-tetrahydrocyclopenta[c]pyrrol-5-one

C11H15NO — CID 10583451

IUPAC(6aR)-4-methyl-2-prop-2-enyl-1,3,6,6a-tetrahydrocyclopenta[c]pyrrol-5-one
SMILESC=CCN1CC2=C(C)C(=O)C[C@H]2C1
InChIInChI=1S/C11H15NO/c1-3-4-12-6-9-5-11(13)8(2)10(9)7-12/h3,9H,1,4-7H2,2H3/t9-/m0/s1
InChIKeyQRFFSIHRIARBOH-VIFPVBQESA-N
MW177.25 g/mol
LogP1.39
Rot. Bonds2

About (6aR)-4-methyl-2-prop-2-enyl-1,3,6,6a-tetrahydrocyclopenta[c]pyrrol-5-one

(6aR)-4-methyl-2-prop-2-enyl-1,3,6,6a-tetrahydrocyclopenta[c]pyrrol-5-one (PubChem CID 10583451) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is (6aR)-4-methyl-2-prop-2-enyl-1,3,6,6a-tetrahydrocyclopenta[c]pyrrol-5-one.

Molecular Properties

Compound Name(6aR)-4-methyl-2-prop-2-enyl-1,3,6,6a-tetrahydrocyclopenta[c]pyrrol-5-one
PubChem CID10583451
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name(6aR)-4-methyl-2-prop-2-enyl-1,3,6,6a-tetrahydrocyclopenta[c]pyrrol-5-one
SMILESC=CCN1CC2=C(C)C(=O)C[C@H]2C1
InChIInChI=1S/C11H15NO/c1-3-4-12-6-9-5-11(13)8(2)10(9)7-12/h3,9H,1,4-7H2,2H3/t9-/m0/s1
InChIKeyQRFFSIHRIARBOH-VIFPVBQESA-N
XLogP1.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (6aR)-4-methyl-2-prop-2-enyl-1,3,6,6a-tetrahydrocyclopenta[c]pyrrol-5-one?
The IUPAC name of (6aR)-4-methyl-2-prop-2-enyl-1,3,6,6a-tetrahydrocyclopenta[c]pyrrol-5-one (CID 10583451) is (6aR)-4-methyl-2-prop-2-enyl-1,3,6,6a-tetrahydrocyclopenta[c]pyrrol-5-one.
What is the SMILES notation for (6aR)-4-methyl-2-prop-2-enyl-1,3,6,6a-tetrahydrocyclopenta[c]pyrrol-5-one?
The canonical SMILES for (6aR)-4-methyl-2-prop-2-enyl-1,3,6,6a-tetrahydrocyclopenta[c]pyrrol-5-one is C=CCN1CC2=C(C)C(=O)C[C@H]2C1.
What is the InChIKey of (6aR)-4-methyl-2-prop-2-enyl-1,3,6,6a-tetrahydrocyclopenta[c]pyrrol-5-one?
The InChIKey is QRFFSIHRIARBOH-VIFPVBQESA-N. The full InChI is InChI=1S/C11H15NO/c1-3-4-12-6-9-5-11(13)8(2)10(9)7-12/h3,9H,1,4-7H2,2H3/t9-/m0/s1.
What are the key properties of (6aR)-4-methyl-2-prop-2-enyl-1,3,6,6a-tetrahydrocyclopenta[c]pyrrol-5-one?
(6aR)-4-methyl-2-prop-2-enyl-1,3,6,6a-tetrahydrocyclopenta[c]pyrrol-5-one has a molecular weight of 177.25 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR)-4-methyl-2-prop-2-enyl-1,3,6,6a-tetrahydrocyclopenta[c]pyrrol-5-one is sourced from PubChem (CID 10583451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).