1-[3-[(4aR,8aR)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydro-2,7-naphthyridin-2-yl]-3-oxopropyl]pyrrolidin-2-one

C15H25N3O3 — CID 133131299

IUPAC1-[3-[(4aR,8aR)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydro-2,7-naphthyridin-2-yl]-3-oxopropyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCC(=O)N1CC[C@]2(O)CCNC[C@@H]2C1
InChIInChI=1S/C15H25N3O3/c19-13-2-1-7-17(13)8-3-14(20)18-9-5-15(21)4-6-16-10-12(15)11-18/h12,16,21H,1-11H2/t12-,15-/m1/s1
InChIKeySIWITDMFYXLZJC-IUODEOHRSA-N
MW295.38 g/mol
LogP-0.43
Rot. Bonds3

About 1-[3-[(4aR,8aR)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydro-2,7-naphthyridin-2-yl]-3-oxopropyl]pyrrolidin-2-one

1-[3-[(4aR,8aR)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydro-2,7-naphthyridin-2-yl]-3-oxopropyl]pyrrolidin-2-one (PubChem CID 133131299) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 1-[3-[(4aR,8aR)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydro-2,7-naphthyridin-2-yl]-3-oxopropyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[(4aR,8aR)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydro-2,7-naphthyridin-2-yl]-3-oxopropyl]pyrrolidin-2-one
PubChem CID133131299
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name1-[3-[(4aR,8aR)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydro-2,7-naphthyridin-2-yl]-3-oxopropyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCC(=O)N1CC[C@]2(O)CCNC[C@@H]2C1
InChIInChI=1S/C15H25N3O3/c19-13-2-1-7-17(13)8-3-14(20)18-9-5-15(21)4-6-16-10-12(15)11-18/h12,16,21H,1-11H2/t12-,15-/m1/s1
InChIKeySIWITDMFYXLZJC-IUODEOHRSA-N
XLogP-0.43
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[3-[(4aR,8aR)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydro-2,7-naphthyridin-2-yl]-3-oxopropyl]pyrrolidin-2-one with MolForge

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Related Compounds

1-[3-(6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-3-oxopropyl]pyrrolidin-2-one
CID 135095324
1-[4-(4-hydroxy-3,3,4-trimethylpiperidin-1-yl)-4-oxobutyl]pyrrolidin-2-one
CID 156603888
1-[3-[6,6-bis(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-3-oxopropyl]azepan-2-one
CID 137345775
1'-[3-(2-oxopyrrolidin-1-yl)propanoyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxylic acid
CID 165428161
1-[2-[(2R)-2-methylpiperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 82705535
1-[2-(3,9-diazaspiro[5.5]undecan-3-yl)-2-oxoethyl]piperidin-2-one
CID 56869293
4-[4-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)-4-oxobutyl]-1,4-diazepan-5-one
CID 67074051
1-[3-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropyl]azepan-2-one
CID 95222110
1-(2-oxo-2-piperazin-1-ylethyl)piperidin-2-one
CID 28824712
1-[3-[6-[(dimethylamino)methyl]-1,4-oxazepan-4-yl]-3-oxopropyl]pyrrolidin-2-one
CID 131943275
1-[3-oxo-3-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)propyl]pyrrolidin-2-one
CID 170508089
1-[4-oxo-4-(3-phenylpiperazin-1-yl)butyl]pyrrolidin-2-one
CID 74251567

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4aR,8aR)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydro-2,7-naphthyridin-2-yl]-3-oxopropyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[(4aR,8aR)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydro-2,7-naphthyridin-2-yl]-3-oxopropyl]pyrrolidin-2-one (CID 133131299) is 1-[3-[(4aR,8aR)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydro-2,7-naphthyridin-2-yl]-3-oxopropyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[(4aR,8aR)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydro-2,7-naphthyridin-2-yl]-3-oxopropyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[(4aR,8aR)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydro-2,7-naphthyridin-2-yl]-3-oxopropyl]pyrrolidin-2-one is O=C1CCCN1CCC(=O)N1CC[C@]2(O)CCNC[C@@H]2C1.
What is the InChIKey of 1-[3-[(4aR,8aR)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydro-2,7-naphthyridin-2-yl]-3-oxopropyl]pyrrolidin-2-one?
The InChIKey is SIWITDMFYXLZJC-IUODEOHRSA-N. The full InChI is InChI=1S/C15H25N3O3/c19-13-2-1-7-17(13)8-3-14(20)18-9-5-15(21)4-6-16-10-12(15)11-18/h12,16,21H,1-11H2/t12-,15-/m1/s1.
What are the key properties of 1-[3-[(4aR,8aR)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydro-2,7-naphthyridin-2-yl]-3-oxopropyl]pyrrolidin-2-one?
1-[3-[(4aR,8aR)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydro-2,7-naphthyridin-2-yl]-3-oxopropyl]pyrrolidin-2-one has a molecular weight of 295.38 g/mol, XLogP of -0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4aR,8aR)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydro-2,7-naphthyridin-2-yl]-3-oxopropyl]pyrrolidin-2-one is sourced from PubChem (CID 133131299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).