N'-[(E)-1-cyano-2-pyrrolidin-1-ylethenyl]-N,N-dimethylmethanimidamide

C10H16N4 — CID 56955403

IUPACN'-[(E)-1-cyano-2-pyrrolidin-1-ylethenyl]-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/C(C#N)=C/N1CCCC1
InChIInChI=1S/C10H16N4/c1-13(2)9-12-10(7-11)8-14-5-3-4-6-14/h8-9H,3-6H2,1-2H3/b10-8+,12-9+
InChIKeyFRDWQVVUDVYOSX-AXDLQRQNSA-N
MW192.27 g/mol
LogP1.04
Rot. Bonds3

About N'-[(E)-1-cyano-2-pyrrolidin-1-ylethenyl]-N,N-dimethylmethanimidamide

N'-[(E)-1-cyano-2-pyrrolidin-1-ylethenyl]-N,N-dimethylmethanimidamide (PubChem CID 56955403) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is N'-[(E)-1-cyano-2-pyrrolidin-1-ylethenyl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[(E)-1-cyano-2-pyrrolidin-1-ylethenyl]-N,N-dimethylmethanimidamide
PubChem CID56955403
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC NameN'-[(E)-1-cyano-2-pyrrolidin-1-ylethenyl]-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/C(C#N)=C/N1CCCC1
InChIInChI=1S/C10H16N4/c1-13(2)9-12-10(7-11)8-14-5-3-4-6-14/h8-9H,3-6H2,1-2H3/b10-8+,12-9+
InChIKeyFRDWQVVUDVYOSX-AXDLQRQNSA-N
XLogP1.04
TPSA42.63 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-(4-methylpiperazine-1-carbonyl)-3-piperidin-1-ylprop-2-enenitrile
CID 108861890
N'-[(E)-2-cyano-2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)diazenyl]-1-piperidin-1-ylethenyl]-N,N-dimethylmethanimidamide
CID 70677174
(Z)-2-(4-methylpiperazine-1-carbonyl)-3-(4-methylpiperazin-1-yl)prop-2-enenitrile
CID 108861889
(Z)-3-(azepan-1-yl)-2-cyano-N-(2-methylpropyl)prop-2-enamide
CID 108832957
(Z)-1-pyrrolidin-1-ylprop-1-en-2-ol
CID 45085255
N'-[(Z)-1,2-dicyano-2-(hydrazinylmethylideneamino)ethenyl]-N,N-dimethylmethanimidamide
CID 10703419
ethyl 4-(2,2-dicyanoethenyl)piperazine-1-carboxylate
CID 110190559
N-methylpyrrolidine-1-carboximidoyl cyanide
CID 123728316
(Z)-2-cyano-N-(dimethylaminomethylidene)-3-(4-phenylpiperidin-1-yl)but-2-enethioamide
CID 86615186
N-(dimethylaminomethylidene)-4-phenylpiperazine-1-carboxamide
CID 3771212
N'-[(Z)-2-(anilinomethylideneamino)-1,2-dicyanoethenyl]-N,N-dimethylmethanimidamide
CID 10563697
(Z)-2-cyano-N-cyclohexyl-N-methyl-3-(4-methylpiperidin-1-yl)prop-2-enamide
CID 108830249

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-1-cyano-2-pyrrolidin-1-ylethenyl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[(E)-1-cyano-2-pyrrolidin-1-ylethenyl]-N,N-dimethylmethanimidamide (CID 56955403) is N'-[(E)-1-cyano-2-pyrrolidin-1-ylethenyl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[(E)-1-cyano-2-pyrrolidin-1-ylethenyl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[(E)-1-cyano-2-pyrrolidin-1-ylethenyl]-N,N-dimethylmethanimidamide is CN(C)/C=N/C(C#N)=C/N1CCCC1.
What is the InChIKey of N'-[(E)-1-cyano-2-pyrrolidin-1-ylethenyl]-N,N-dimethylmethanimidamide?
The InChIKey is FRDWQVVUDVYOSX-AXDLQRQNSA-N. The full InChI is InChI=1S/C10H16N4/c1-13(2)9-12-10(7-11)8-14-5-3-4-6-14/h8-9H,3-6H2,1-2H3/b10-8+,12-9+.
What are the key properties of N'-[(E)-1-cyano-2-pyrrolidin-1-ylethenyl]-N,N-dimethylmethanimidamide?
N'-[(E)-1-cyano-2-pyrrolidin-1-ylethenyl]-N,N-dimethylmethanimidamide has a molecular weight of 192.27 g/mol, XLogP of 1.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-1-cyano-2-pyrrolidin-1-ylethenyl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 56955403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).