N'-methyl-N-(4-methylidenepyrrolidin-3-ylidene)ethanimidamide

C8H13N3 — CID 145301451

IUPACN'-methyl-N-(4-methylidenepyrrolidin-3-ylidene)ethanimidamide
SMILESC=C1CNC/C1=N\C(C)=N\C
InChIInChI=1S/C8H13N3/c1-6-4-10-5-8(6)11-7(2)9-3/h10H,1,4-5H2,2-3H3/b9-7+,11-8+
InChIKeyOFEJJTPSBCDSQH-BIZFVBGRSA-N
MW151.21 g/mol
LogP0.63
Rot. Bonds

About N'-methyl-N-(4-methylidenepyrrolidin-3-ylidene)ethanimidamide

N'-methyl-N-(4-methylidenepyrrolidin-3-ylidene)ethanimidamide (PubChem CID 145301451) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is N'-methyl-N-(4-methylidenepyrrolidin-3-ylidene)ethanimidamide.

Molecular Properties

Compound NameN'-methyl-N-(4-methylidenepyrrolidin-3-ylidene)ethanimidamide
PubChem CID145301451
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC NameN'-methyl-N-(4-methylidenepyrrolidin-3-ylidene)ethanimidamide
SMILESC=C1CNC/C1=N\C(C)=N\C
InChIInChI=1S/C8H13N3/c1-6-4-10-5-8(6)11-7(2)9-3/h10H,1,4-5H2,2-3H3/b9-7+,11-8+
InChIKeyOFEJJTPSBCDSQH-BIZFVBGRSA-N
XLogP0.63
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

(Z)-(4-methyliminopyrrolidin-3-ylidene)methanamine
CID 135275464
ethene;N-methyl-4-methylidenepyrrolidin-3-imine
CID 145048032
(4-Methyliminopyrrolidin-3-ylidene)methanamine
CID 157354863
4-Methylidenepyrrolidin-3-imine
CID 173910437
N-methyl-4-methylidenepyrrolidin-3-imine
CID 145048033

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(4-methylidenepyrrolidin-3-ylidene)ethanimidamide?
The IUPAC name of N'-methyl-N-(4-methylidenepyrrolidin-3-ylidene)ethanimidamide (CID 145301451) is N'-methyl-N-(4-methylidenepyrrolidin-3-ylidene)ethanimidamide.
What is the SMILES notation for N'-methyl-N-(4-methylidenepyrrolidin-3-ylidene)ethanimidamide?
The canonical SMILES for N'-methyl-N-(4-methylidenepyrrolidin-3-ylidene)ethanimidamide is C=C1CNC/C1=N\C(C)=N\C.
What is the InChIKey of N'-methyl-N-(4-methylidenepyrrolidin-3-ylidene)ethanimidamide?
The InChIKey is OFEJJTPSBCDSQH-BIZFVBGRSA-N. The full InChI is InChI=1S/C8H13N3/c1-6-4-10-5-8(6)11-7(2)9-3/h10H,1,4-5H2,2-3H3/b9-7+,11-8+.
What are the key properties of N'-methyl-N-(4-methylidenepyrrolidin-3-ylidene)ethanimidamide?
N'-methyl-N-(4-methylidenepyrrolidin-3-ylidene)ethanimidamide has a molecular weight of 151.21 g/mol, XLogP of 0.63, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(4-methylidenepyrrolidin-3-ylidene)ethanimidamide is sourced from PubChem (CID 145301451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).