1-methylpyrrolidine;2-[[(Z)-prop-1-enyl]iminomethylimino]propylurea

C13H25N5O — CID 143260306

IUPAC1-methylpyrrolidine;2-[[(Z)-prop-1-enyl]iminomethylimino]propylurea
SMILESC/C=C\N=C\N=C(/C)CNC(N)=O.CN1CCCC1
InChIInChI=1S/C8H14N4O.C5H11N/c1-3-4-10-6-12-7(2)5-11-8(9)13;1-6-4-2-3-5-6/h3-4,6H,5H2,1-2H3,(H3,9,11,13);2-5H2,1H3/b4-3-,10-6+,12-7+;
InChIKeyXRCPTQLWZBUGJP-GMMHGBAUSA-N
MW267.38 g/mol
LogP1.39
Rot. Bonds4

About 1-methylpyrrolidine;2-[[(Z)-prop-1-enyl]iminomethylimino]propylurea

1-methylpyrrolidine;2-[[(Z)-prop-1-enyl]iminomethylimino]propylurea (PubChem CID 143260306) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is 1-methylpyrrolidine;2-[[(Z)-prop-1-enyl]iminomethylimino]propylurea.

Molecular Properties

Compound Name1-methylpyrrolidine;2-[[(Z)-prop-1-enyl]iminomethylimino]propylurea
PubChem CID143260306
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC Name1-methylpyrrolidine;2-[[(Z)-prop-1-enyl]iminomethylimino]propylurea
SMILESC/C=C\N=C\N=C(/C)CNC(N)=O.CN1CCCC1
InChIInChI=1S/C8H14N4O.C5H11N/c1-3-4-10-6-12-7(2)5-11-8(9)13;1-6-4-2-3-5-6/h3-4,6H,5H2,1-2H3,(H3,9,11,13);2-5H2,1H3/b4-3-,10-6+,12-7+;
InChIKeyXRCPTQLWZBUGJP-GMMHGBAUSA-N
XLogP1.39
TPSA83.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methylpyrrolidine;2-[[(Z)-prop-1-enyl]iminomethylimino]propylurea?
The IUPAC name of 1-methylpyrrolidine;2-[[(Z)-prop-1-enyl]iminomethylimino]propylurea (CID 143260306) is 1-methylpyrrolidine;2-[[(Z)-prop-1-enyl]iminomethylimino]propylurea.
What is the SMILES notation for 1-methylpyrrolidine;2-[[(Z)-prop-1-enyl]iminomethylimino]propylurea?
The canonical SMILES for 1-methylpyrrolidine;2-[[(Z)-prop-1-enyl]iminomethylimino]propylurea is C/C=C\N=C\N=C(/C)CNC(N)=O.CN1CCCC1.
What is the InChIKey of 1-methylpyrrolidine;2-[[(Z)-prop-1-enyl]iminomethylimino]propylurea?
The InChIKey is XRCPTQLWZBUGJP-GMMHGBAUSA-N. The full InChI is InChI=1S/C8H14N4O.C5H11N/c1-3-4-10-6-12-7(2)5-11-8(9)13;1-6-4-2-3-5-6/h3-4,6H,5H2,1-2H3,(H3,9,11,13);2-5H2,1H3/b4-3-,10-6+,12-7+;.
What are the key properties of 1-methylpyrrolidine;2-[[(Z)-prop-1-enyl]iminomethylimino]propylurea?
1-methylpyrrolidine;2-[[(Z)-prop-1-enyl]iminomethylimino]propylurea has a molecular weight of 267.38 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpyrrolidine;2-[[(Z)-prop-1-enyl]iminomethylimino]propylurea is sourced from PubChem (CID 143260306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).