5-ethyl-6-[(1-methylpyrrolidin-2-yl)methyl]-4,6-diazaspiro[2.4]heptan-7-one

C13H23N3O — CID 114137896

IUPAC5-ethyl-6-[(1-methylpyrrolidin-2-yl)methyl]-4,6-diazaspiro[2.4]heptan-7-one
SMILESCCC1NC2(CC2)C(=O)N1CC1CCCN1C
InChIInChI=1S/C13H23N3O/c1-3-11-14-13(6-7-13)12(17)16(11)9-10-5-4-8-15(10)2/h10-11,14H,3-9H2,1-2H3
InChIKeyRRXDDTCDOBRFQP-UHFFFAOYSA-N
MW237.35 g/mol
LogP0.78
Rot. Bonds3

About 5-ethyl-6-[(1-methylpyrrolidin-2-yl)methyl]-4,6-diazaspiro[2.4]heptan-7-one

5-ethyl-6-[(1-methylpyrrolidin-2-yl)methyl]-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 114137896) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 5-ethyl-6-[(1-methylpyrrolidin-2-yl)methyl]-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name5-ethyl-6-[(1-methylpyrrolidin-2-yl)methyl]-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID114137896
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name5-ethyl-6-[(1-methylpyrrolidin-2-yl)methyl]-4,6-diazaspiro[2.4]heptan-7-one
SMILESCCC1NC2(CC2)C(=O)N1CC1CCCN1C
InChIInChI=1S/C13H23N3O/c1-3-11-14-13(6-7-13)12(17)16(11)9-10-5-4-8-15(10)2/h10-11,14H,3-9H2,1-2H3
InChIKeyRRXDDTCDOBRFQP-UHFFFAOYSA-N
XLogP0.78
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[(1-methylpyrrolidin-2-yl)methyl]-1,3-diazaspiro[4.4]nonan-4-one
CID 106021778
3-[(1,4-dimethylpiperazin-2-yl)methyl]-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83263939
5-ethyl-6-[(1-methylpiperidin-4-yl)methyl]-4,6-diazaspiro[2.4]heptan-7-one
CID 83249122
3-[(1-methylpiperidin-2-yl)methyl]-2-propan-2-yl-1,3-diazaspiro[4.4]nonan-4-one
CID 83248460
5-ethyl-6-[2-[ethyl(methyl)amino]ethyl]-4,6-diazaspiro[2.4]heptan-7-one
CID 83255547
6-(cyclopentylmethyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83244163
2-ethyl-3-(thiolan-3-ylmethyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 107299046
2-ethyl-3-(oxolan-3-ylmethyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83255122
5-ethyl-3-[(1-methylpyrrolidin-2-yl)methyl]-2-propylimidazolidin-4-one
CID 114137900
5-ethyl-6-(2,2,2-trifluoroethyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83251449
3-[(1-methylpiperidin-4-yl)methyl]-2-propyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83253627
6-[(1,4-dimethylpiperazin-2-yl)methyl]-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83265028

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-[(1-methylpyrrolidin-2-yl)methyl]-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 5-ethyl-6-[(1-methylpyrrolidin-2-yl)methyl]-4,6-diazaspiro[2.4]heptan-7-one (CID 114137896) is 5-ethyl-6-[(1-methylpyrrolidin-2-yl)methyl]-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 5-ethyl-6-[(1-methylpyrrolidin-2-yl)methyl]-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 5-ethyl-6-[(1-methylpyrrolidin-2-yl)methyl]-4,6-diazaspiro[2.4]heptan-7-one is CCC1NC2(CC2)C(=O)N1CC1CCCN1C.
What is the InChIKey of 5-ethyl-6-[(1-methylpyrrolidin-2-yl)methyl]-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is RRXDDTCDOBRFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-11-14-13(6-7-13)12(17)16(11)9-10-5-4-8-15(10)2/h10-11,14H,3-9H2,1-2H3.
What are the key properties of 5-ethyl-6-[(1-methylpyrrolidin-2-yl)methyl]-4,6-diazaspiro[2.4]heptan-7-one?
5-ethyl-6-[(1-methylpyrrolidin-2-yl)methyl]-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 237.35 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-[(1-methylpyrrolidin-2-yl)methyl]-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 114137896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).