(5aR,8aS)-2-methoxy-7-methyl-5a-prop-2-enyl-8a,9-dihydro-8H-cyclopenta[g]quinolin-5-one

C17H19NO2 — CID 122388510

IUPAC(5aR,8aS)-2-methoxy-7-methyl-5a-prop-2-enyl-8a,9-dihydro-8H-cyclopenta[g]quinolin-5-one
SMILESC=CC[C@]12C=C(C)C[C@H]1Cc1nc(OC)ccc1C2=O
InChIInChI=1S/C17H19NO2/c1-4-7-17-10-11(2)8-12(17)9-14-13(16(17)19)5-6-15(18-14)20-3/h4-6,10,12H,1,7-9H2,2-3H3/t12-,17-/m0/s1
InChIKeyPBCIMFNCISMUPC-SJCJKPOMSA-N
MW269.34 g/mol
LogP3.36
Rot. Bonds3

About (5aR,8aS)-2-methoxy-7-methyl-5a-prop-2-enyl-8a,9-dihydro-8H-cyclopenta[g]quinolin-5-one

(5aR,8aS)-2-methoxy-7-methyl-5a-prop-2-enyl-8a,9-dihydro-8H-cyclopenta[g]quinolin-5-one (PubChem CID 122388510) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is (5aR,8aS)-2-methoxy-7-methyl-5a-prop-2-enyl-8a,9-dihydro-8H-cyclopenta[g]quinolin-5-one.

Molecular Properties

Compound Name(5aR,8aS)-2-methoxy-7-methyl-5a-prop-2-enyl-8a,9-dihydro-8H-cyclopenta[g]quinolin-5-one
PubChem CID122388510
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name(5aR,8aS)-2-methoxy-7-methyl-5a-prop-2-enyl-8a,9-dihydro-8H-cyclopenta[g]quinolin-5-one
SMILESC=CC[C@]12C=C(C)C[C@H]1Cc1nc(OC)ccc1C2=O
InChIInChI=1S/C17H19NO2/c1-4-7-17-10-11(2)8-12(17)9-14-13(16(17)19)5-6-15(18-14)20-3/h4-6,10,12H,1,7-9H2,2-3H3/t12-,17-/m0/s1
InChIKeyPBCIMFNCISMUPC-SJCJKPOMSA-N
XLogP3.36
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (5aR,8aS)-2-methoxy-7-methyl-5a-prop-2-enyl-8a,9-dihydro-8H-cyclopenta[g]quinolin-5-one?
The IUPAC name of (5aR,8aS)-2-methoxy-7-methyl-5a-prop-2-enyl-8a,9-dihydro-8H-cyclopenta[g]quinolin-5-one (CID 122388510) is (5aR,8aS)-2-methoxy-7-methyl-5a-prop-2-enyl-8a,9-dihydro-8H-cyclopenta[g]quinolin-5-one.
What is the SMILES notation for (5aR,8aS)-2-methoxy-7-methyl-5a-prop-2-enyl-8a,9-dihydro-8H-cyclopenta[g]quinolin-5-one?
The canonical SMILES for (5aR,8aS)-2-methoxy-7-methyl-5a-prop-2-enyl-8a,9-dihydro-8H-cyclopenta[g]quinolin-5-one is C=CC[C@]12C=C(C)C[C@H]1Cc1nc(OC)ccc1C2=O.
What is the InChIKey of (5aR,8aS)-2-methoxy-7-methyl-5a-prop-2-enyl-8a,9-dihydro-8H-cyclopenta[g]quinolin-5-one?
The InChIKey is PBCIMFNCISMUPC-SJCJKPOMSA-N. The full InChI is InChI=1S/C17H19NO2/c1-4-7-17-10-11(2)8-12(17)9-14-13(16(17)19)5-6-15(18-14)20-3/h4-6,10,12H,1,7-9H2,2-3H3/t12-,17-/m0/s1.
What are the key properties of (5aR,8aS)-2-methoxy-7-methyl-5a-prop-2-enyl-8a,9-dihydro-8H-cyclopenta[g]quinolin-5-one?
(5aR,8aS)-2-methoxy-7-methyl-5a-prop-2-enyl-8a,9-dihydro-8H-cyclopenta[g]quinolin-5-one has a molecular weight of 269.34 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5aR,8aS)-2-methoxy-7-methyl-5a-prop-2-enyl-8a,9-dihydro-8H-cyclopenta[g]quinolin-5-one is sourced from PubChem (CID 122388510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).