1-methanimidoyl-1-[(Z)-prop-1-enyl]-3-[[(Z)-prop-1-enyl]iminomethyl]urea

C9H14N4O — CID 167188019

IUPAC1-methanimidoyl-1-[(Z)-prop-1-enyl]-3-[[(Z)-prop-1-enyl]iminomethyl]urea
SMILES[H]/N=C/N(/C=C\C)C(=O)N/C=N/C=C\C
InChIInChI=1S/C9H14N4O/c1-3-5-11-8-12-9(14)13(7-10)6-4-2/h3-8,10H,1-2H3,(H,11,12,14)/b5-3-,6-4-,10-7+
InChIKeyLFPWCPPQZBXSOJ-MINREMIESA-N
MW194.24 g/mol
LogP1.70
Rot. Bonds4

About 1-methanimidoyl-1-[(Z)-prop-1-enyl]-3-[[(Z)-prop-1-enyl]iminomethyl]urea

1-methanimidoyl-1-[(Z)-prop-1-enyl]-3-[[(Z)-prop-1-enyl]iminomethyl]urea (PubChem CID 167188019) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 1-methanimidoyl-1-[(Z)-prop-1-enyl]-3-[[(Z)-prop-1-enyl]iminomethyl]urea.

Molecular Properties

Compound Name1-methanimidoyl-1-[(Z)-prop-1-enyl]-3-[[(Z)-prop-1-enyl]iminomethyl]urea
PubChem CID167188019
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name1-methanimidoyl-1-[(Z)-prop-1-enyl]-3-[[(Z)-prop-1-enyl]iminomethyl]urea
SMILES[H]/N=C/N(/C=C\C)C(=O)N/C=N/C=C\C
InChIInChI=1S/C9H14N4O/c1-3-5-11-8-12-9(14)13(7-10)6-4-2/h3-8,10H,1-2H3,(H,11,12,14)/b5-3-,6-4-,10-7+
InChIKeyLFPWCPPQZBXSOJ-MINREMIESA-N
XLogP1.70
TPSA68.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 51.70
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-methanimidoyl-1-[(Z)-prop-1-enyl]-3-[[(Z)-prop-1-enyl]iminomethyl]urea?
The IUPAC name of 1-methanimidoyl-1-[(Z)-prop-1-enyl]-3-[[(Z)-prop-1-enyl]iminomethyl]urea (CID 167188019) is 1-methanimidoyl-1-[(Z)-prop-1-enyl]-3-[[(Z)-prop-1-enyl]iminomethyl]urea.
What is the SMILES notation for 1-methanimidoyl-1-[(Z)-prop-1-enyl]-3-[[(Z)-prop-1-enyl]iminomethyl]urea?
The canonical SMILES for 1-methanimidoyl-1-[(Z)-prop-1-enyl]-3-[[(Z)-prop-1-enyl]iminomethyl]urea is [H]/N=C/N(/C=C\C)C(=O)N/C=N/C=C\C.
What is the InChIKey of 1-methanimidoyl-1-[(Z)-prop-1-enyl]-3-[[(Z)-prop-1-enyl]iminomethyl]urea?
The InChIKey is LFPWCPPQZBXSOJ-MINREMIESA-N. The full InChI is InChI=1S/C9H14N4O/c1-3-5-11-8-12-9(14)13(7-10)6-4-2/h3-8,10H,1-2H3,(H,11,12,14)/b5-3-,6-4-,10-7+.
What are the key properties of 1-methanimidoyl-1-[(Z)-prop-1-enyl]-3-[[(Z)-prop-1-enyl]iminomethyl]urea?
1-methanimidoyl-1-[(Z)-prop-1-enyl]-3-[[(Z)-prop-1-enyl]iminomethyl]urea has a molecular weight of 194.24 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methanimidoyl-1-[(Z)-prop-1-enyl]-3-[[(Z)-prop-1-enyl]iminomethyl]urea is sourced from PubChem (CID 167188019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).