1-[(Z)-but-2-enyl]-1,3-dimethanimidoyl-3-[(Z)-prop-1-enyl]urea

C10H16N4O — CID 166718579

IUPAC1-[(Z)-but-2-enyl]-1,3-dimethanimidoyl-3-[(Z)-prop-1-enyl]urea
SMILES[H]/N=C/N(/C=C\C)C(=O)N(/C=N/[H])C/C=C\C
InChIInChI=1S/C10H16N4O/c1-3-5-7-14(9-12)10(15)13(8-11)6-4-2/h3-6,8-9,11-12H,7H2,1-2H3/b5-3-,6-4-,11-8+,12-9+
InChIKeyFTULBTMEXACSOP-YYRSYOBQSA-N
MW208.27 g/mol
LogP2.03
Rot. Bonds5

About 1-[(Z)-but-2-enyl]-1,3-dimethanimidoyl-3-[(Z)-prop-1-enyl]urea

1-[(Z)-but-2-enyl]-1,3-dimethanimidoyl-3-[(Z)-prop-1-enyl]urea (PubChem CID 166718579) has the molecular formula C10H16N4O and a molecular weight of 208.27 g/mol. Its IUPAC name is 1-[(Z)-but-2-enyl]-1,3-dimethanimidoyl-3-[(Z)-prop-1-enyl]urea.

Molecular Properties

Compound Name1-[(Z)-but-2-enyl]-1,3-dimethanimidoyl-3-[(Z)-prop-1-enyl]urea
PubChem CID166718579
Molecular FormulaC10H16N4O
Molecular Weight208.27 g/mol
Exact Mass208.13
IUPAC Name1-[(Z)-but-2-enyl]-1,3-dimethanimidoyl-3-[(Z)-prop-1-enyl]urea
SMILES[H]/N=C/N(/C=C\C)C(=O)N(/C=N/[H])C/C=C\C
InChIInChI=1S/C10H16N4O/c1-3-5-7-14(9-12)10(15)13(8-11)6-4-2/h3-6,8-9,11-12H,7H2,1-2H3/b5-3-,6-4-,11-8+,12-9+
InChIKeyFTULBTMEXACSOP-YYRSYOBQSA-N
XLogP2.03
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.27
LogP ≤ 52.03
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-ethenyl-1-[(Z)-hex-1-enyl]-3-methanimidoyl-3-[(Z)-prop-1-enyl]urea
CID 167181345
1-methanimidoyl-1,3-bis[(Z)-prop-1-enyl]thiourea
CID 163586216
N,N-bis(prop-1-enyl)acetamide
CID 85447022
1-iminohept-5-en-2-one
CID 123560377
tert-butyl N-[(E)-but-2-enyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 11777975
4-[methanimidoyl(methyl)amino]butanamide
CID 144851146
2-[[(E)-but-2-enyl]-methylamino]propanedioic acid
CID 172778967
N-but-2-enyl-N-methylbut-2-en-1-amine
CID 91131221
N,N-bis(but-2-enyl)formamide
CID 76548321
(Z)-N-[(3Z)-hexa-1,3,5-trien-2-yl]-N-methanimidoylbut-2-enamide
CID 134505058
4-methanimidoylhex-4-en-3-one
CID 155692065
2-bromo-N,N-bis[(E)-but-2-enyl]-2,2-difluoroacetamide
CID 102091543

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-but-2-enyl]-1,3-dimethanimidoyl-3-[(Z)-prop-1-enyl]urea?
The IUPAC name of 1-[(Z)-but-2-enyl]-1,3-dimethanimidoyl-3-[(Z)-prop-1-enyl]urea (CID 166718579) is 1-[(Z)-but-2-enyl]-1,3-dimethanimidoyl-3-[(Z)-prop-1-enyl]urea.
What is the SMILES notation for 1-[(Z)-but-2-enyl]-1,3-dimethanimidoyl-3-[(Z)-prop-1-enyl]urea?
The canonical SMILES for 1-[(Z)-but-2-enyl]-1,3-dimethanimidoyl-3-[(Z)-prop-1-enyl]urea is [H]/N=C/N(/C=C\C)C(=O)N(/C=N/[H])C/C=C\C.
What is the InChIKey of 1-[(Z)-but-2-enyl]-1,3-dimethanimidoyl-3-[(Z)-prop-1-enyl]urea?
The InChIKey is FTULBTMEXACSOP-YYRSYOBQSA-N. The full InChI is InChI=1S/C10H16N4O/c1-3-5-7-14(9-12)10(15)13(8-11)6-4-2/h3-6,8-9,11-12H,7H2,1-2H3/b5-3-,6-4-,11-8+,12-9+.
What are the key properties of 1-[(Z)-but-2-enyl]-1,3-dimethanimidoyl-3-[(Z)-prop-1-enyl]urea?
1-[(Z)-but-2-enyl]-1,3-dimethanimidoyl-3-[(Z)-prop-1-enyl]urea has a molecular weight of 208.27 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-but-2-enyl]-1,3-dimethanimidoyl-3-[(Z)-prop-1-enyl]urea is sourced from PubChem (CID 166718579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).