3-cyano-N-(dimethylaminomethylidene)-2-(dimethylaminomethylideneamino)-6,7-dihydro-5H-pyrrolizine-1-carboxamide

C15H20N6O — CID 7203859

IUPAC3-cyano-N-(dimethylaminomethylidene)-2-(dimethylaminomethylideneamino)-6,7-dihydro-5H-pyrrolizine-1-carboxamide
SMILESCN(C)/C=N/C(=O)c1c(/N=C/N(C)C)c(C#N)n2c1CCC2
InChIInChI=1S/C15H20N6O/c1-19(2)9-17-14-12(8-16)21-7-5-6-11(21)13(14)15(22)18-10-20(3)4/h9-10H,5-7H2,1-4H3/b17-9+,18-10+
InChIKeyZJDDXEHBRBSHGO-BEQMOXJMSA-N
MW300.37 g/mol
LogP1.26
Rot. Bonds4

About 3-cyano-N-(dimethylaminomethylidene)-2-(dimethylaminomethylideneamino)-6,7-dihydro-5H-pyrrolizine-1-carboxamide

3-cyano-N-(dimethylaminomethylidene)-2-(dimethylaminomethylideneamino)-6,7-dihydro-5H-pyrrolizine-1-carboxamide (PubChem CID 7203859) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is 3-cyano-N-(dimethylaminomethylidene)-2-(dimethylaminomethylideneamino)-6,7-dihydro-5H-pyrrolizine-1-carboxamide.

Molecular Properties

Compound Name3-cyano-N-(dimethylaminomethylidene)-2-(dimethylaminomethylideneamino)-6,7-dihydro-5H-pyrrolizine-1-carboxamide
PubChem CID7203859
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name3-cyano-N-(dimethylaminomethylidene)-2-(dimethylaminomethylideneamino)-6,7-dihydro-5H-pyrrolizine-1-carboxamide
SMILESCN(C)/C=N/C(=O)c1c(/N=C/N(C)C)c(C#N)n2c1CCC2
InChIInChI=1S/C15H20N6O/c1-19(2)9-17-14-12(8-16)21-7-5-6-11(21)13(14)15(22)18-10-20(3)4/h9-10H,5-7H2,1-4H3/b17-9+,18-10+
InChIKeyZJDDXEHBRBSHGO-BEQMOXJMSA-N
XLogP1.26
TPSA76.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-oxo-4,6,7,8-tetrahydro-3H-pyrimido[4,5-b]pyrrolizine-9-carbonitrile
CID 136232188
ethyl 3-cyano-2-(dimethylaminomethylideneamino)-6,7-dihydro-5H-pyrrolizine-1-carboxylate
CID 3260865
6-amino-5-(aminocarbothioyl)-2,3-dihydro-1H-pyrrolizine-7-carboxamide
CID 5113491
4-Oxo-4,5,6,7-tetrahydro-3H-pyrimido[5,4-a]pyrrolizine-9-carbonitrile
CID 135400597
6-amino-N-benzyl-5-cyano-2,3-dihydro-1H-pyrrolizine-7-carboxamide
CID 13929293
N'-[7-cyano-5-(phenylcarbonyl)-2,3-dihydro-1H-pyrrolizin-6-yl]-N,N-dimethylimidoformamide
CID 2834657
N-benzyl-5-cyano-6-{[(dimethylamino)methylene]amino}-2,3-dihydro-1H-pyrrolizine-7-carboxamide
CID 5347115
2-(2-hydroxyimino-2-phenylethyl)-1-oxo-8,9-dihydro-7H-pyrimido[5,4-a]pyrrolizine-5-carbonitrile
CID 6326586
2-amino-1-cyano-6,7-dihydro-5H-pyrrolizine-3-carboxamide
CID 59067780
3-Oxo-1,4,6-triazatricyclo[7.6.0.02,7]pentadeca-2(7),5,8-triene-8-carbonitrile
CID 135463023
5,6-Diethyl-4-oxo-4,5-dihydro-1H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile
CID 135506491
5,6-bis(2-methylpropyl)-4-oxo-3H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile
CID 136428244

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(dimethylaminomethylidene)-2-(dimethylaminomethylideneamino)-6,7-dihydro-5H-pyrrolizine-1-carboxamide?
The IUPAC name of 3-cyano-N-(dimethylaminomethylidene)-2-(dimethylaminomethylideneamino)-6,7-dihydro-5H-pyrrolizine-1-carboxamide (CID 7203859) is 3-cyano-N-(dimethylaminomethylidene)-2-(dimethylaminomethylideneamino)-6,7-dihydro-5H-pyrrolizine-1-carboxamide.
What is the SMILES notation for 3-cyano-N-(dimethylaminomethylidene)-2-(dimethylaminomethylideneamino)-6,7-dihydro-5H-pyrrolizine-1-carboxamide?
The canonical SMILES for 3-cyano-N-(dimethylaminomethylidene)-2-(dimethylaminomethylideneamino)-6,7-dihydro-5H-pyrrolizine-1-carboxamide is CN(C)/C=N/C(=O)c1c(/N=C/N(C)C)c(C#N)n2c1CCC2.
What is the InChIKey of 3-cyano-N-(dimethylaminomethylidene)-2-(dimethylaminomethylideneamino)-6,7-dihydro-5H-pyrrolizine-1-carboxamide?
The InChIKey is ZJDDXEHBRBSHGO-BEQMOXJMSA-N. The full InChI is InChI=1S/C15H20N6O/c1-19(2)9-17-14-12(8-16)21-7-5-6-11(21)13(14)15(22)18-10-20(3)4/h9-10H,5-7H2,1-4H3/b17-9+,18-10+.
What are the key properties of 3-cyano-N-(dimethylaminomethylidene)-2-(dimethylaminomethylideneamino)-6,7-dihydro-5H-pyrrolizine-1-carboxamide?
3-cyano-N-(dimethylaminomethylidene)-2-(dimethylaminomethylideneamino)-6,7-dihydro-5H-pyrrolizine-1-carboxamide has a molecular weight of 300.37 g/mol, XLogP of 1.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(dimethylaminomethylidene)-2-(dimethylaminomethylideneamino)-6,7-dihydro-5H-pyrrolizine-1-carboxamide is sourced from PubChem (CID 7203859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).