1-(methylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxamide

C9H17N3O — CID 82853335

IUPAC1-(methylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxamide
SMILESCNC1(C(N)=O)CCN2CCCC21
InChIInChI=1S/C9H17N3O/c1-11-9(8(10)13)4-6-12-5-2-3-7(9)12/h7,11H,2-6H2,1H3,(H2,10,13)
InChIKeyROKDJAWSEGSXJL-UHFFFAOYSA-N
MW183.25 g/mol
LogP-0.70
Rot. Bonds2

About 1-(methylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxamide

1-(methylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxamide (PubChem CID 82853335) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-(methylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxamide.

Molecular Properties

Compound Name1-(methylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxamide
PubChem CID82853335
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name1-(methylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxamide
SMILESCNC1(C(N)=O)CCN2CCCC21
InChIInChI=1S/C9H17N3O/c1-11-9(8(10)13)4-6-12-5-2-3-7(9)12/h7,11H,2-6H2,1H3,(H2,10,13)
InChIKeyROKDJAWSEGSXJL-UHFFFAOYSA-N
XLogP-0.70
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(ethylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxamide
CID 82853255
1-(cyclohexylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxamide
CID 82853864
1-(4-methylanilino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxamide
CID 82853168
1-(4-fluoroanilino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxamide
CID 82853591
ethyl 1-(ethylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate
CID 82857077
1-(methylamino)-3-oxo-5,6,7,8-tetrahydro-2H-pyrrolizine-1-carboxamide
CID 130490614
1-(3-chloroanilino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxamide
CID 82853504
methyl 1-(ethylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate
CID 82857076
ethyl 1-(cycloheptylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate
CID 82844697
2-[1-(ethylamino)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]acetamide
CID 82856391
methyl 1-(2-azidoethylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate
CID 82856860
2,3-dimethyl-1-(methylamino)cyclohexane-1-carboxamide
CID 64754738

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxamide?
The IUPAC name of 1-(methylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxamide (CID 82853335) is 1-(methylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxamide.
What is the SMILES notation for 1-(methylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxamide?
The canonical SMILES for 1-(methylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxamide is CNC1(C(N)=O)CCN2CCCC21.
What is the InChIKey of 1-(methylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxamide?
The InChIKey is ROKDJAWSEGSXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-11-9(8(10)13)4-6-12-5-2-3-7(9)12/h7,11H,2-6H2,1H3,(H2,10,13).
What are the key properties of 1-(methylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxamide?
1-(methylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxamide has a molecular weight of 183.25 g/mol, XLogP of -0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxamide is sourced from PubChem (CID 82853335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).