1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl-(3-hydroxypyrrolidin-1-yl)methanone

C14H24N2O2 — CID 66468992

IUPAC1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl-(3-hydroxypyrrolidin-1-yl)methanone
SMILESO=C(C1CCC2CCCCC2N1)N1CCC(O)C1
InChIInChI=1S/C14H24N2O2/c17-11-7-8-16(9-11)14(18)13-6-5-10-3-1-2-4-12(10)15-13/h10-13,15,17H,1-9H2
InChIKeyVVZQIOULFALZQE-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.89
Rot. Bonds1

About 1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl-(3-hydroxypyrrolidin-1-yl)methanone

1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl-(3-hydroxypyrrolidin-1-yl)methanone (PubChem CID 66468992) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl-(3-hydroxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl-(3-hydroxypyrrolidin-1-yl)methanone
PubChem CID66468992
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl-(3-hydroxypyrrolidin-1-yl)methanone
SMILESO=C(C1CCC2CCCCC2N1)N1CCC(O)C1
InChIInChI=1S/C14H24N2O2/c17-11-7-8-16(9-11)14(18)13-6-5-10-3-1-2-4-12(10)15-13/h10-13,15,17H,1-9H2
InChIKeyVVZQIOULFALZQE-UHFFFAOYSA-N
XLogP0.89
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl-(3-hydroxypyrrolidin-1-yl)methanone?
The IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl-(3-hydroxypyrrolidin-1-yl)methanone (CID 66468992) is 1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl-(3-hydroxypyrrolidin-1-yl)methanone.
What is the SMILES notation for 1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl-(3-hydroxypyrrolidin-1-yl)methanone?
The canonical SMILES for 1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl-(3-hydroxypyrrolidin-1-yl)methanone is O=C(C1CCC2CCCCC2N1)N1CCC(O)C1.
What is the InChIKey of 1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl-(3-hydroxypyrrolidin-1-yl)methanone?
The InChIKey is VVZQIOULFALZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c17-11-7-8-16(9-11)14(18)13-6-5-10-3-1-2-4-12(10)15-13/h10-13,15,17H,1-9H2.
What are the key properties of 1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl-(3-hydroxypyrrolidin-1-yl)methanone?
1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl-(3-hydroxypyrrolidin-1-yl)methanone has a molecular weight of 252.36 g/mol, XLogP of 0.89, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl-(3-hydroxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 66468992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).