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

C9H14N4O — CID 118899251

IUPAC1,3-bis[[(Z)-prop-1-enyl]iminomethyl]urea
SMILESC/C=C\N=C\NC(=O)N/C=N/C=C\C
InChIInChI=1S/C9H14N4O/c1-3-5-10-7-12-9(14)13-8-11-6-4-2/h3-8H,1-2H3,(H2,10,11,12,13,14)/b5-3-,6-4-
InChIKeyKCZKUUNLFGAEFL-GLIMQPGKSA-N
MW194.24 g/mol
LogP1.41
Rot. Bonds4

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

1,3-bis[[(Z)-prop-1-enyl]iminomethyl]urea (PubChem CID 118899251) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 1,3-bis[[(Z)-prop-1-enyl]iminomethyl]urea.

Molecular Properties

Compound Name1,3-bis[[(Z)-prop-1-enyl]iminomethyl]urea
PubChem CID118899251
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name1,3-bis[[(Z)-prop-1-enyl]iminomethyl]urea
SMILESC/C=C\N=C\NC(=O)N/C=N/C=C\C
InChIInChI=1S/C9H14N4O/c1-3-5-10-7-12-9(14)13-8-11-6-4-2/h3-8H,1-2H3,(H2,10,11,12,13,14)/b5-3-,6-4-
InChIKeyKCZKUUNLFGAEFL-GLIMQPGKSA-N
XLogP1.41
TPSA65.85 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 ≤ 51.41
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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Related Compounds

1-[(E)-3-fluoroprop-1-enyl]-1-methyl-3-(methyliminomethyl)urea
CID 143398352
1-(1,4-Dihydropyrimidin-4-yl)-1-ethyl-3,3-dimethylurea
CID 118475943
1-(Ethenyliminomethyl)-3-methylurea
CID 134172294
(3E)-3-(aminomethylidene)-1-methyl-1-[(Z)-prop-1-enyl]urea
CID 142034296
1-methylidene-3-[(Z)-prop-1-enyl]urea
CID 142847691
1-ethenyl-3-methyl-3-[(Z)-2-(methylamino)ethenyl]-1-(methyliminomethyl)urea
CID 143394566
ethane;1-methylidene-3-[(Z)-prop-1-enyl]urea
CID 144049950
N-[[(Z)-prop-1-enyl]iminomethyl]formamide
CID 145377941
1,3-dimethanimidoyl-1,3-bis[(Z)-prop-1-enyl]urea
CID 153659358
1-methanimidoyl-1-[(Z)-prop-1-enyl]-3-[[(Z)-prop-1-enyl]iminomethyl]urea
CID 167188019
1-Ethenyl-3-methyl-1-(methyliminomethyl)urea
CID 177188871
Ethane;1-ethenyl-3-methyl-1-(methyliminomethyl)urea
CID 177991442

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[[(Z)-prop-1-enyl]iminomethyl]urea?
The IUPAC name of 1,3-bis[[(Z)-prop-1-enyl]iminomethyl]urea (CID 118899251) is 1,3-bis[[(Z)-prop-1-enyl]iminomethyl]urea.
What is the SMILES notation for 1,3-bis[[(Z)-prop-1-enyl]iminomethyl]urea?
The canonical SMILES for 1,3-bis[[(Z)-prop-1-enyl]iminomethyl]urea is C/C=C\N=C\NC(=O)N/C=N/C=C\C.
What is the InChIKey of 1,3-bis[[(Z)-prop-1-enyl]iminomethyl]urea?
The InChIKey is KCZKUUNLFGAEFL-GLIMQPGKSA-N. The full InChI is InChI=1S/C9H14N4O/c1-3-5-10-7-12-9(14)13-8-11-6-4-2/h3-8H,1-2H3,(H2,10,11,12,13,14)/b5-3-,6-4-.
What are the key properties of 1,3-bis[[(Z)-prop-1-enyl]iminomethyl]urea?
1,3-bis[[(Z)-prop-1-enyl]iminomethyl]urea has a molecular weight of 194.24 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[[(Z)-prop-1-enyl]iminomethyl]urea is sourced from PubChem (CID 118899251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).