(7R,7aR,11aR)-7-hydroxy-1,2,5,6,7,7a,8,9,10,11-decahydropyrrolo[2,1-j]quinolin-3-one

C12H19NO2 — CID 139037657

IUPAC(7R,7aR,11aR)-7-hydroxy-1,2,5,6,7,7a,8,9,10,11-decahydropyrrolo[2,1-j]quinolin-3-one
SMILESO=C1CC[C@]23CCCC[C@H]2[C@H](O)CCN13
InChIInChI=1S/C12H19NO2/c14-10-5-8-13-11(15)4-7-12(13)6-2-1-3-9(10)12/h9-10,14H,1-8H2/t9-,10+,12+/m0/s1
InChIKeyBECJRVIEQPXKRO-HOSYDEDBSA-N
MW209.29 g/mol
LogP1.30
Rot. Bonds

About (7R,7aR,11aR)-7-hydroxy-1,2,5,6,7,7a,8,9,10,11-decahydropyrrolo[2,1-j]quinolin-3-one

(7R,7aR,11aR)-7-hydroxy-1,2,5,6,7,7a,8,9,10,11-decahydropyrrolo[2,1-j]quinolin-3-one (PubChem CID 139037657) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is (7R,7aR,11aR)-7-hydroxy-1,2,5,6,7,7a,8,9,10,11-decahydropyrrolo[2,1-j]quinolin-3-one.

Molecular Properties

Compound Name(7R,7aR,11aR)-7-hydroxy-1,2,5,6,7,7a,8,9,10,11-decahydropyrrolo[2,1-j]quinolin-3-one
PubChem CID139037657
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name(7R,7aR,11aR)-7-hydroxy-1,2,5,6,7,7a,8,9,10,11-decahydropyrrolo[2,1-j]quinolin-3-one
SMILESO=C1CC[C@]23CCCC[C@H]2[C@H](O)CCN13
InChIInChI=1S/C12H19NO2/c14-10-5-8-13-11(15)4-7-12(13)6-2-1-3-9(10)12/h9-10,14H,1-8H2/t9-,10+,12+/m0/s1
InChIKeyBECJRVIEQPXKRO-HOSYDEDBSA-N
XLogP1.30
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7R,7aR,11aR)-7-hydroxy-1,2,5,6,7,7a,8,9,10,11-decahydropyrrolo[2,1-j]quinolin-3-one?
The IUPAC name of (7R,7aR,11aR)-7-hydroxy-1,2,5,6,7,7a,8,9,10,11-decahydropyrrolo[2,1-j]quinolin-3-one (CID 139037657) is (7R,7aR,11aR)-7-hydroxy-1,2,5,6,7,7a,8,9,10,11-decahydropyrrolo[2,1-j]quinolin-3-one.
What is the SMILES notation for (7R,7aR,11aR)-7-hydroxy-1,2,5,6,7,7a,8,9,10,11-decahydropyrrolo[2,1-j]quinolin-3-one?
The canonical SMILES for (7R,7aR,11aR)-7-hydroxy-1,2,5,6,7,7a,8,9,10,11-decahydropyrrolo[2,1-j]quinolin-3-one is O=C1CC[C@]23CCCC[C@H]2[C@H](O)CCN13.
What is the InChIKey of (7R,7aR,11aR)-7-hydroxy-1,2,5,6,7,7a,8,9,10,11-decahydropyrrolo[2,1-j]quinolin-3-one?
The InChIKey is BECJRVIEQPXKRO-HOSYDEDBSA-N. The full InChI is InChI=1S/C12H19NO2/c14-10-5-8-13-11(15)4-7-12(13)6-2-1-3-9(10)12/h9-10,14H,1-8H2/t9-,10+,12+/m0/s1.
What are the key properties of (7R,7aR,11aR)-7-hydroxy-1,2,5,6,7,7a,8,9,10,11-decahydropyrrolo[2,1-j]quinolin-3-one?
(7R,7aR,11aR)-7-hydroxy-1,2,5,6,7,7a,8,9,10,11-decahydropyrrolo[2,1-j]quinolin-3-one has a molecular weight of 209.29 g/mol, XLogP of 1.30, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,7aR,11aR)-7-hydroxy-1,2,5,6,7,7a,8,9,10,11-decahydropyrrolo[2,1-j]quinolin-3-one is sourced from PubChem (CID 139037657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).