1-(methylamino)-3-oxo-5,6,7,8-tetrahydro-2H-pyrrolizine-1-carboxamide

C9H15N3O2 — CID 130490614

IUPAC1-(methylamino)-3-oxo-5,6,7,8-tetrahydro-2H-pyrrolizine-1-carboxamide
SMILESCNC1(C(N)=O)CC(=O)N2CCCC21
InChIInChI=1S/C9H15N3O2/c1-11-9(8(10)14)5-7(13)12-4-2-3-6(9)12/h6,11H,2-5H2,1H3,(H2,10,14)
InChIKeyJTIBLCCCZJFBEY-UHFFFAOYSA-N
MW197.24 g/mol
LogP-1.18
Rot. Bonds2

About 1-(methylamino)-3-oxo-5,6,7,8-tetrahydro-2H-pyrrolizine-1-carboxamide

1-(methylamino)-3-oxo-5,6,7,8-tetrahydro-2H-pyrrolizine-1-carboxamide (PubChem CID 130490614) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 1-(methylamino)-3-oxo-5,6,7,8-tetrahydro-2H-pyrrolizine-1-carboxamide.

Molecular Properties

Compound Name1-(methylamino)-3-oxo-5,6,7,8-tetrahydro-2H-pyrrolizine-1-carboxamide
PubChem CID130490614
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name1-(methylamino)-3-oxo-5,6,7,8-tetrahydro-2H-pyrrolizine-1-carboxamide
SMILESCNC1(C(N)=O)CC(=O)N2CCCC21
InChIInChI=1S/C9H15N3O2/c1-11-9(8(10)14)5-7(13)12-4-2-3-6(9)12/h6,11H,2-5H2,1H3,(H2,10,14)
InChIKeyJTIBLCCCZJFBEY-UHFFFAOYSA-N
XLogP-1.18
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-1.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(methylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxamide
CID 82853335
3-(methylamino)-1-azabicyclo[2.2.2]octane-3-carboxamide
CID 60796247
1-(ethylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxamide
CID 82853255
1-(cyclopentylamino)-3-oxo-5,6,7,8-tetrahydro-2H-pyrrolizine-1-carbonitrile
CID 114239000
1-(4-methylanilino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxamide
CID 82853168
2-[2-(azocan-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide
CID 79577274
8-amino-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 82416566
(1R,8aS)-1-hydroxy-1-phenyl-2,5,6,7,8,8a-hexahydroindolizin-3-one
CID 125489087
1-(cyclohexylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxamide
CID 82853864
2-[2-(4,4-dimethylpiperidin-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide
CID 79564232
2,4-dimethyl-1-(methylamino)cyclohexane-1-carboxamide
CID 64754739
2-[2-(4-ethylazepan-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide
CID 79573690

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-3-oxo-5,6,7,8-tetrahydro-2H-pyrrolizine-1-carboxamide?
The IUPAC name of 1-(methylamino)-3-oxo-5,6,7,8-tetrahydro-2H-pyrrolizine-1-carboxamide (CID 130490614) is 1-(methylamino)-3-oxo-5,6,7,8-tetrahydro-2H-pyrrolizine-1-carboxamide.
What is the SMILES notation for 1-(methylamino)-3-oxo-5,6,7,8-tetrahydro-2H-pyrrolizine-1-carboxamide?
The canonical SMILES for 1-(methylamino)-3-oxo-5,6,7,8-tetrahydro-2H-pyrrolizine-1-carboxamide is CNC1(C(N)=O)CC(=O)N2CCCC21.
What is the InChIKey of 1-(methylamino)-3-oxo-5,6,7,8-tetrahydro-2H-pyrrolizine-1-carboxamide?
The InChIKey is JTIBLCCCZJFBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-11-9(8(10)14)5-7(13)12-4-2-3-6(9)12/h6,11H,2-5H2,1H3,(H2,10,14).
What are the key properties of 1-(methylamino)-3-oxo-5,6,7,8-tetrahydro-2H-pyrrolizine-1-carboxamide?
1-(methylamino)-3-oxo-5,6,7,8-tetrahydro-2H-pyrrolizine-1-carboxamide has a molecular weight of 197.24 g/mol, XLogP of -1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-3-oxo-5,6,7,8-tetrahydro-2H-pyrrolizine-1-carboxamide is sourced from PubChem (CID 130490614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).