1-methyl-3-(1-methylpyrrolidin-2-ylidene)urea

C7H13N3O — CID 71430352

IUPAC1-methyl-3-(1-methylpyrrolidin-2-ylidene)urea
SMILESCNC(=O)N=C1CCCN1C
InChIInChI=1S/C7H13N3O/c1-8-7(11)9-6-4-3-5-10(6)2/h3-5H2,1-2H3,(H,8,11)
InChIKeyYZGPRRKCRQKJKJ-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.45
Rot. Bonds

About 1-methyl-3-(1-methylpyrrolidin-2-ylidene)urea

1-methyl-3-(1-methylpyrrolidin-2-ylidene)urea (PubChem CID 71430352) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 1-methyl-3-(1-methylpyrrolidin-2-ylidene)urea.

Molecular Properties

Compound Name1-methyl-3-(1-methylpyrrolidin-2-ylidene)urea
PubChem CID71430352
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name1-methyl-3-(1-methylpyrrolidin-2-ylidene)urea
SMILESCNC(=O)N=C1CCCN1C
InChIInChI=1S/C7H13N3O/c1-8-7(11)9-6-4-3-5-10(6)2/h3-5H2,1-2H3,(H,8,11)
InChIKeyYZGPRRKCRQKJKJ-UHFFFAOYSA-N
XLogP0.45
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-Pyrrolidin-1-yl-1,5-dihydro-imidazol-2-one
CID 533478
N-ethyl-2-iminopyrrolidine-1-carboxamide
CID 143847890
(E)-(1-methylpyrrolidin-2-ylidene)urea
CID 13027200
(1E)-1-(1-methylpyrrolidin-2-ylidene)-3-pentylurea
CID 15585200
1-(1-Methylpyrrolidin-2-ylidene)-3-pentylurea
CID 93507526

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(1-methylpyrrolidin-2-ylidene)urea?
The IUPAC name of 1-methyl-3-(1-methylpyrrolidin-2-ylidene)urea (CID 71430352) is 1-methyl-3-(1-methylpyrrolidin-2-ylidene)urea.
What is the SMILES notation for 1-methyl-3-(1-methylpyrrolidin-2-ylidene)urea?
The canonical SMILES for 1-methyl-3-(1-methylpyrrolidin-2-ylidene)urea is CNC(=O)N=C1CCCN1C.
What is the InChIKey of 1-methyl-3-(1-methylpyrrolidin-2-ylidene)urea?
The InChIKey is YZGPRRKCRQKJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-8-7(11)9-6-4-3-5-10(6)2/h3-5H2,1-2H3,(H,8,11).
What are the key properties of 1-methyl-3-(1-methylpyrrolidin-2-ylidene)urea?
1-methyl-3-(1-methylpyrrolidin-2-ylidene)urea has a molecular weight of 155.20 g/mol, XLogP of 0.45, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(1-methylpyrrolidin-2-ylidene)urea is sourced from PubChem (CID 71430352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).