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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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).