2-amino-1-cyano-6,7-dihydro-5H-pyrrolizine-3-carboxamide

C9H10N4O — CID 59067780

IUPAC2-amino-1-cyano-6,7-dihydro-5H-pyrrolizine-3-carboxamide
SMILESN#Cc1c(N)c(C(N)=O)n2c1CCC2
InChIInChI=1S/C9H10N4O/c10-4-5-6-2-1-3-13(6)8(7(5)11)9(12)14/h1-3,11H2,(H2,12,14)
InChIKeyYYARHHPWMYUBIA-UHFFFAOYSA-N
MW190.21 g/mol
LogP-0.01
Rot. Bonds1

About 2-amino-1-cyano-6,7-dihydro-5H-pyrrolizine-3-carboxamide

2-amino-1-cyano-6,7-dihydro-5H-pyrrolizine-3-carboxamide (PubChem CID 59067780) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is 2-amino-1-cyano-6,7-dihydro-5H-pyrrolizine-3-carboxamide.

Molecular Properties

Compound Name2-amino-1-cyano-6,7-dihydro-5H-pyrrolizine-3-carboxamide
PubChem CID59067780
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name2-amino-1-cyano-6,7-dihydro-5H-pyrrolizine-3-carboxamide
SMILESN#Cc1c(N)c(C(N)=O)n2c1CCC2
InChIInChI=1S/C9H10N4O/c10-4-5-6-2-1-3-13(6)8(7(5)11)9(12)14/h1-3,11H2,(H2,12,14)
InChIKeyYYARHHPWMYUBIA-UHFFFAOYSA-N
XLogP-0.01
TPSA97.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrimido[4,5-b]indolizine-10-carbonitrile, 1,4,6,7,8,9-hexahydro-4-oxo-
CID 135449211
1-cyano-N-phenyl-2-(propylideneamino)-6,7-dihydro-5H-pyrrolizine-3-carboxamide
CID 155545512
1-cyano-N-(4-methylphenyl)-2-(propylideneamino)-6,7-dihydro-5H-pyrrolizine-3-carboxamide
CID 155564403
6-amino-5-benzoyl-2,3-dihydro-1H-pyrrolizine-7-carbonitrile
CID 741280
4-oxo-4,6,7,8,9,10-hexahydro-3H-pyrimido[4',5':4,5]pyrrolo[1,2-a]azepine-11-carbonitrile
CID 135400592
4-oxo-4,6,7,8-tetrahydro-3H-pyrimido[4,5-b]pyrrolizine-9-carbonitrile
CID 136232188
2-amino-1-cyano-N-phenyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide
CID 393842
2-amino-1-cyano-N-(p-tolyl)-6,7-dihydro-5H-pyrrolizine-3-carboxamide
CID 393843
6-amino-5-(aminocarbothioyl)-2,3-dihydro-1H-pyrrolizine-7-carboxamide
CID 5113491
2-amino-1-cyano-N-(2-methylphenyl)-6,7-dihydro-5H-pyrrolizine-3-carboxamide
CID 51039263
2-acetamido-1-cyano-N-(2-methylphenyl)-6,7-dihydro-5H-pyrrolizine-3-carboxamide
CID 51042535
4-Oxo-4,5,6,7-tetrahydro-3H-pyrimido[5,4-a]pyrrolizine-9-carbonitrile
CID 135400597

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-cyano-6,7-dihydro-5H-pyrrolizine-3-carboxamide?
The IUPAC name of 2-amino-1-cyano-6,7-dihydro-5H-pyrrolizine-3-carboxamide (CID 59067780) is 2-amino-1-cyano-6,7-dihydro-5H-pyrrolizine-3-carboxamide.
What is the SMILES notation for 2-amino-1-cyano-6,7-dihydro-5H-pyrrolizine-3-carboxamide?
The canonical SMILES for 2-amino-1-cyano-6,7-dihydro-5H-pyrrolizine-3-carboxamide is N#Cc1c(N)c(C(N)=O)n2c1CCC2.
What is the InChIKey of 2-amino-1-cyano-6,7-dihydro-5H-pyrrolizine-3-carboxamide?
The InChIKey is YYARHHPWMYUBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c10-4-5-6-2-1-3-13(6)8(7(5)11)9(12)14/h1-3,11H2,(H2,12,14).
What are the key properties of 2-amino-1-cyano-6,7-dihydro-5H-pyrrolizine-3-carboxamide?
2-amino-1-cyano-6,7-dihydro-5H-pyrrolizine-3-carboxamide has a molecular weight of 190.21 g/mol, XLogP of -0.01, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-cyano-6,7-dihydro-5H-pyrrolizine-3-carboxamide is sourced from PubChem (CID 59067780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).