(E)-(1-methylpyrrolidin-2-ylidene)urea

C6H11N3O — CID 13027200

IUPAC(E)-(1-methylpyrrolidin-2-ylidene)urea
SMILESCN1CCC/C1=N\C(N)=O
InChIInChI=1S/C6H11N3O/c1-9-4-2-3-5(9)8-6(7)10/h2-4H2,1H3,(H2,7,10)/b8-5+
InChIKeyBWDAAJACAIPHHK-VMPITWQZSA-N
MW141.17 g/mol
LogP0.19
Rot. Bonds

About (E)-(1-methylpyrrolidin-2-ylidene)urea

(E)-(1-methylpyrrolidin-2-ylidene)urea (PubChem CID 13027200) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is (E)-(1-methylpyrrolidin-2-ylidene)urea.

Molecular Properties

Compound Name(E)-(1-methylpyrrolidin-2-ylidene)urea
PubChem CID13027200
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name(E)-(1-methylpyrrolidin-2-ylidene)urea
SMILESCN1CCC/C1=N\C(N)=O
InChIInChI=1S/C6H11N3O/c1-9-4-2-3-5(9)8-6(7)10/h2-4H2,1H3,(H2,7,10)/b8-5+
InChIKeyBWDAAJACAIPHHK-VMPITWQZSA-N
XLogP0.19
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.19
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

Methanamine, N-(1-methyl-2-pyrrolidinylidene)-
CID 574377
Guanidine, N-cyano-N'-(1-methyl-2-pyrrolidinylidene)-
CID 9589493
N-ethyl-1-methylpyrrolidin-2-imine
CID 12896054
Dimethyl-(1-methylpyrrolidin-2-ylidene)azanium
CID 85690367
1-ethyl-N-methylpyrrolidin-2-imine
CID 89517110
N-(methoxymethyl)-1-methylpyrrolidin-2-imine
CID 91233615
2-Cyano-1-(1-methylpyrrolidin-2-ylidene)guanidine
CID 3087500
(E)-pyrrolidin-1-ylmethylideneurea
CID 13213305
(1Z)-2-cyano-1-(1-methylpyrrolidin-2-ylidene)guanidine
CID 20845128
N-[(Pyrrolidin-1-yl)methylidene]urea
CID 71321559
N-Methyl-N'-(1-methylpyrrolidin-2-ylidene)urea
CID 71430352

Frequently Asked Questions

What is the IUPAC name of (E)-(1-methylpyrrolidin-2-ylidene)urea?
The IUPAC name of (E)-(1-methylpyrrolidin-2-ylidene)urea (CID 13027200) is (E)-(1-methylpyrrolidin-2-ylidene)urea.
What is the SMILES notation for (E)-(1-methylpyrrolidin-2-ylidene)urea?
The canonical SMILES for (E)-(1-methylpyrrolidin-2-ylidene)urea is CN1CCC/C1=N\C(N)=O.
What is the InChIKey of (E)-(1-methylpyrrolidin-2-ylidene)urea?
The InChIKey is BWDAAJACAIPHHK-VMPITWQZSA-N. The full InChI is InChI=1S/C6H11N3O/c1-9-4-2-3-5(9)8-6(7)10/h2-4H2,1H3,(H2,7,10)/b8-5+.
What are the key properties of (E)-(1-methylpyrrolidin-2-ylidene)urea?
(E)-(1-methylpyrrolidin-2-ylidene)urea has a molecular weight of 141.17 g/mol, XLogP of 0.19, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-(1-methylpyrrolidin-2-ylidene)urea is sourced from PubChem (CID 13027200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).