N-(1-methyl-4-methylidenepyrrolidin-3-ylidene)methanimidamide

C7H11N3 — CID 143479021

IUPACN-(1-methyl-4-methylidenepyrrolidin-3-ylidene)methanimidamide
SMILES[H]/N=C/N=C1\CN(C)CC1=C
InChIInChI=1S/C7H11N3/c1-6-3-10(2)4-7(6)9-5-8/h5,8H,1,3-4H2,2H3/b8-5+,9-7+
InChIKeyYSXNFAZCVWLZMU-OCIXRKKMSA-N
MW137.19 g/mol
LogP0.54
Rot. Bonds1

About N-(1-methyl-4-methylidenepyrrolidin-3-ylidene)methanimidamide

N-(1-methyl-4-methylidenepyrrolidin-3-ylidene)methanimidamide (PubChem CID 143479021) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is N-(1-methyl-4-methylidenepyrrolidin-3-ylidene)methanimidamide.

Molecular Properties

Compound NameN-(1-methyl-4-methylidenepyrrolidin-3-ylidene)methanimidamide
PubChem CID143479021
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC NameN-(1-methyl-4-methylidenepyrrolidin-3-ylidene)methanimidamide
SMILES[H]/N=C/N=C1\CN(C)CC1=C
InChIInChI=1S/C7H11N3/c1-6-3-10(2)4-7(6)9-5-8/h5,8H,1,3-4H2,2H3/b8-5+,9-7+
InChIKeyYSXNFAZCVWLZMU-OCIXRKKMSA-N
XLogP0.54
TPSA39.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 50.54
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'}

Analyze N-(1-methyl-4-methylidenepyrrolidin-3-ylidene)methanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Methylidene-1-propan-2-ylpyrrolidin-3-imine
CID 176960621
1-Methyl-4-methylidenepyrrolidin-3-imine
CID 144213688
N-methyl-4-methylidenepyrrolidin-3-imine
CID 145048033

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-4-methylidenepyrrolidin-3-ylidene)methanimidamide?
The IUPAC name of N-(1-methyl-4-methylidenepyrrolidin-3-ylidene)methanimidamide (CID 143479021) is N-(1-methyl-4-methylidenepyrrolidin-3-ylidene)methanimidamide.
What is the SMILES notation for N-(1-methyl-4-methylidenepyrrolidin-3-ylidene)methanimidamide?
The canonical SMILES for N-(1-methyl-4-methylidenepyrrolidin-3-ylidene)methanimidamide is [H]/N=C/N=C1\CN(C)CC1=C.
What is the InChIKey of N-(1-methyl-4-methylidenepyrrolidin-3-ylidene)methanimidamide?
The InChIKey is YSXNFAZCVWLZMU-OCIXRKKMSA-N. The full InChI is InChI=1S/C7H11N3/c1-6-3-10(2)4-7(6)9-5-8/h5,8H,1,3-4H2,2H3/b8-5+,9-7+.
What are the key properties of N-(1-methyl-4-methylidenepyrrolidin-3-ylidene)methanimidamide?
N-(1-methyl-4-methylidenepyrrolidin-3-ylidene)methanimidamide has a molecular weight of 137.19 g/mol, XLogP of 0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-4-methylidenepyrrolidin-3-ylidene)methanimidamide is sourced from PubChem (CID 143479021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).