1-[(3aS)-2,3,3a,4-tetrahydro-1H-cyclopenta[c]quinolin-8-yl]ethanone

C14H15NO — CID 175937172

IUPAC1-[(3aS)-2,3,3a,4-tetrahydro-1H-cyclopenta[c]quinolin-8-yl]ethanone
SMILESCC(=O)c1ccc2c(c1)=C1CCC[C@@H]1CN=2
InChIInChI=1S/C14H15NO/c1-9(16)10-5-6-14-13(7-10)12-4-2-3-11(12)8-15-14/h5-7,11H,2-4,8H2,1H3/t11-/m1/s1
InChIKeyHZXREDWEFGRLRC-LLVKDONJSA-N
MW213.28 g/mol
LogP1.47
Rot. Bonds1

About 1-[(3aS)-2,3,3a,4-tetrahydro-1H-cyclopenta[c]quinolin-8-yl]ethanone

1-[(3aS)-2,3,3a,4-tetrahydro-1H-cyclopenta[c]quinolin-8-yl]ethanone (PubChem CID 175937172) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-[(3aS)-2,3,3a,4-tetrahydro-1H-cyclopenta[c]quinolin-8-yl]ethanone.

Molecular Properties

Compound Name1-[(3aS)-2,3,3a,4-tetrahydro-1H-cyclopenta[c]quinolin-8-yl]ethanone
PubChem CID175937172
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name1-[(3aS)-2,3,3a,4-tetrahydro-1H-cyclopenta[c]quinolin-8-yl]ethanone
SMILESCC(=O)c1ccc2c(c1)=C1CCC[C@@H]1CN=2
InChIInChI=1S/C14H15NO/c1-9(16)10-5-6-14-13(7-10)12-4-2-3-11(12)8-15-14/h5-7,11H,2-4,8H2,1H3/t11-/m1/s1
InChIKeyHZXREDWEFGRLRC-LLVKDONJSA-N
XLogP1.47
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3aS)-2,3,3a,4-tetrahydro-1H-cyclopenta[c]quinolin-8-yl]ethanone?
The IUPAC name of 1-[(3aS)-2,3,3a,4-tetrahydro-1H-cyclopenta[c]quinolin-8-yl]ethanone (CID 175937172) is 1-[(3aS)-2,3,3a,4-tetrahydro-1H-cyclopenta[c]quinolin-8-yl]ethanone.
What is the SMILES notation for 1-[(3aS)-2,3,3a,4-tetrahydro-1H-cyclopenta[c]quinolin-8-yl]ethanone?
The canonical SMILES for 1-[(3aS)-2,3,3a,4-tetrahydro-1H-cyclopenta[c]quinolin-8-yl]ethanone is CC(=O)c1ccc2c(c1)=C1CCC[C@@H]1CN=2.
What is the InChIKey of 1-[(3aS)-2,3,3a,4-tetrahydro-1H-cyclopenta[c]quinolin-8-yl]ethanone?
The InChIKey is HZXREDWEFGRLRC-LLVKDONJSA-N. The full InChI is InChI=1S/C14H15NO/c1-9(16)10-5-6-14-13(7-10)12-4-2-3-11(12)8-15-14/h5-7,11H,2-4,8H2,1H3/t11-/m1/s1.
What are the key properties of 1-[(3aS)-2,3,3a,4-tetrahydro-1H-cyclopenta[c]quinolin-8-yl]ethanone?
1-[(3aS)-2,3,3a,4-tetrahydro-1H-cyclopenta[c]quinolin-8-yl]ethanone has a molecular weight of 213.28 g/mol, XLogP of 1.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3aS)-2,3,3a,4-tetrahydro-1H-cyclopenta[c]quinolin-8-yl]ethanone is sourced from PubChem (CID 175937172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).