1-[1-(oxolan-2-yl)ethylamino]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one

C14H24N2O2 — CID 114223213

IUPAC1-[1-(oxolan-2-yl)ethylamino]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
SMILESCC(NC1CC(=O)N2CCCCC12)C1CCCO1
InChIInChI=1S/C14H24N2O2/c1-10(13-6-4-8-18-13)15-11-9-14(17)16-7-3-2-5-12(11)16/h10-13,15H,2-9H2,1H3
InChIKeyKUJKLQAPNDFTPU-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.30
Rot. Bonds3

About 1-[1-(oxolan-2-yl)ethylamino]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one

1-[1-(oxolan-2-yl)ethylamino]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one (PubChem CID 114223213) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-[1-(oxolan-2-yl)ethylamino]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one.

Molecular Properties

Compound Name1-[1-(oxolan-2-yl)ethylamino]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
PubChem CID114223213
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1-[1-(oxolan-2-yl)ethylamino]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
SMILESCC(NC1CC(=O)N2CCCCC12)C1CCCO1
InChIInChI=1S/C14H24N2O2/c1-10(13-6-4-8-18-13)15-11-9-14(17)16-7-3-2-5-12(11)16/h10-13,15H,2-9H2,1H3
InChIKeyKUJKLQAPNDFTPU-UHFFFAOYSA-N
XLogP1.30
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1-(oxolan-2-yl)ethylamino]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one with MolForge

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Related Compounds

1-(propylamino)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 130486876
3-[1-(oxolan-2-yl)ethylamino]-1-propylpyrrolidine-2,5-dione
CID 43636786
(3S)-3-[[(1S)-1-[(2S)-oxolan-2-yl]ethyl]amino]-1-phenylpyrrolidin-2-one
CID 99854367
1-(1-pyridin-4-ylethylamino)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 114238785
N-[1-(oxolan-2-yl)ethyl]bicyclo[3.1.0]hexan-3-amine
CID 130791757
4-[1-(oxolan-2-yl)ethylamino]oxolan-3-ol
CID 60910566
1-hydrazinyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 130490616
1-[(5-methylthiophen-2-yl)methylamino]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 114223364
2-[(3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-1-yl)amino]acetic acid
CID 130486929
N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]azepane-1-sulfonamide
CID 35612991
1-(2,5-dimethylpyrazol-3-yl)-3-[1-(oxolan-2-yl)ethylamino]pyrrolidin-2-one
CID 75504218
3,3,5,5-tetramethyl-N-[1-(oxolan-2-yl)ethyl]cyclohexan-1-amine
CID 112681915

Frequently Asked Questions

What is the IUPAC name of 1-[1-(oxolan-2-yl)ethylamino]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The IUPAC name of 1-[1-(oxolan-2-yl)ethylamino]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one (CID 114223213) is 1-[1-(oxolan-2-yl)ethylamino]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one.
What is the SMILES notation for 1-[1-(oxolan-2-yl)ethylamino]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The canonical SMILES for 1-[1-(oxolan-2-yl)ethylamino]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one is CC(NC1CC(=O)N2CCCCC12)C1CCCO1.
What is the InChIKey of 1-[1-(oxolan-2-yl)ethylamino]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The InChIKey is KUJKLQAPNDFTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-10(13-6-4-8-18-13)15-11-9-14(17)16-7-3-2-5-12(11)16/h10-13,15H,2-9H2,1H3.
What are the key properties of 1-[1-(oxolan-2-yl)ethylamino]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
1-[1-(oxolan-2-yl)ethylamino]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one has a molecular weight of 252.36 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(oxolan-2-yl)ethylamino]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one is sourced from PubChem (CID 114223213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).