(1E)-1-(1-methylpyrrolidin-2-ylidene)-3-[(E)-pent-2-enyl]urea

C11H19N3O — CID 15585222

IUPAC(1E)-1-(1-methylpyrrolidin-2-ylidene)-3-[(E)-pent-2-enyl]urea
SMILESCC/C=C/CNC(=O)/N=C1\CCCN1C
InChIInChI=1S/C11H19N3O/c1-3-4-5-8-12-11(15)13-10-7-6-9-14(10)2/h4-5H,3,6-9H2,1-2H3,(H,12,15)/b5-4+,13-10+
InChIKeyXMVDIWBCTXGKTP-VBJRVQAISA-N
MW209.29 g/mol
LogP1.79
Rot. Bonds3

About (1E)-1-(1-methylpyrrolidin-2-ylidene)-3-[(E)-pent-2-enyl]urea

(1E)-1-(1-methylpyrrolidin-2-ylidene)-3-[(E)-pent-2-enyl]urea (PubChem CID 15585222) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is (1E)-1-(1-methylpyrrolidin-2-ylidene)-3-[(E)-pent-2-enyl]urea.

Molecular Properties

Compound Name(1E)-1-(1-methylpyrrolidin-2-ylidene)-3-[(E)-pent-2-enyl]urea
PubChem CID15585222
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name(1E)-1-(1-methylpyrrolidin-2-ylidene)-3-[(E)-pent-2-enyl]urea
SMILESCC/C=C/CNC(=O)/N=C1\CCCN1C
InChIInChI=1S/C11H19N3O/c1-3-4-5-8-12-11(15)13-10-7-6-9-14(10)2/h4-5H,3,6-9H2,1-2H3,(H,12,15)/b5-4+,13-10+
InChIKeyXMVDIWBCTXGKTP-VBJRVQAISA-N
XLogP1.79
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Methyl-pent-3-enyl-pyrrolidin-2-ylideneazanium
CID 123943797
N-[(Cyclopent-2-en-1-yl)methyl]-N'-(1-methylpyrrolidin-2-ylidene)urea
CID 71430288
1-(1-Methylpyrrolidin-2-ylidene)-3-pent-2-enylurea
CID 131859150

Frequently Asked Questions

What is the IUPAC name of (1E)-1-(1-methylpyrrolidin-2-ylidene)-3-[(E)-pent-2-enyl]urea?
The IUPAC name of (1E)-1-(1-methylpyrrolidin-2-ylidene)-3-[(E)-pent-2-enyl]urea (CID 15585222) is (1E)-1-(1-methylpyrrolidin-2-ylidene)-3-[(E)-pent-2-enyl]urea.
What is the SMILES notation for (1E)-1-(1-methylpyrrolidin-2-ylidene)-3-[(E)-pent-2-enyl]urea?
The canonical SMILES for (1E)-1-(1-methylpyrrolidin-2-ylidene)-3-[(E)-pent-2-enyl]urea is CC/C=C/CNC(=O)/N=C1\CCCN1C.
What is the InChIKey of (1E)-1-(1-methylpyrrolidin-2-ylidene)-3-[(E)-pent-2-enyl]urea?
The InChIKey is XMVDIWBCTXGKTP-VBJRVQAISA-N. The full InChI is InChI=1S/C11H19N3O/c1-3-4-5-8-12-11(15)13-10-7-6-9-14(10)2/h4-5H,3,6-9H2,1-2H3,(H,12,15)/b5-4+,13-10+.
What are the key properties of (1E)-1-(1-methylpyrrolidin-2-ylidene)-3-[(E)-pent-2-enyl]urea?
(1E)-1-(1-methylpyrrolidin-2-ylidene)-3-[(E)-pent-2-enyl]urea has a molecular weight of 209.29 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-(1-methylpyrrolidin-2-ylidene)-3-[(E)-pent-2-enyl]urea is sourced from PubChem (CID 15585222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).