3-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-8-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one

C17H26N4O2 — CID 131742302

IUPAC3-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-8-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCN1CCC2(CC1)N=CN(CC1CCN(C(=O)C3CC3)C1)C2=O
InChIInChI=1S/C17H26N4O2/c1-19-8-5-17(6-9-19)16(23)21(12-18-17)11-13-4-7-20(10-13)15(22)14-2-3-14/h12-14H,2-11H2,1H3
InChIKeyVGYWCKWVPVUNHE-UHFFFAOYSA-N
MW318.42 g/mol
LogP0.58
Rot. Bonds3

About 3-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-8-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one

3-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-8-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one (PubChem CID 131742302) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 3-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-8-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one.

Molecular Properties

Compound Name3-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-8-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
PubChem CID131742302
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name3-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-8-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCN1CCC2(CC1)N=CN(CC1CCN(C(=O)C3CC3)C1)C2=O
InChIInChI=1S/C17H26N4O2/c1-19-8-5-17(6-9-19)16(23)21(12-18-17)11-13-4-7-20(10-13)15(22)14-2-3-14/h12-14H,2-11H2,1H3
InChIKeyVGYWCKWVPVUNHE-UHFFFAOYSA-N
XLogP0.58
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-Ethyl-3-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 20622674
3-Ethyl-8-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 22097505
2-Butyl-3-ethyl-8-(pyrrolidine-1-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 170592298
2-Butyl-3-methyl-8-(pyrrolidine-1-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 170592110

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-8-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The IUPAC name of 3-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-8-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one (CID 131742302) is 3-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-8-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one.
What is the SMILES notation for 3-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-8-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The canonical SMILES for 3-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-8-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one is CN1CCC2(CC1)N=CN(CC1CCN(C(=O)C3CC3)C1)C2=O.
What is the InChIKey of 3-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-8-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The InChIKey is VGYWCKWVPVUNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-19-8-5-17(6-9-19)16(23)21(12-18-17)11-13-4-7-20(10-13)15(22)14-2-3-14/h12-14H,2-11H2,1H3.
What are the key properties of 3-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-8-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
3-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-8-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one has a molecular weight of 318.42 g/mol, XLogP of 0.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-8-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one is sourced from PubChem (CID 131742302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).