[4-(furan-2-yl)buta-1,3-dien-2-ylamino]urea

C9H11N3O2 — CID 5192993

IUPAC[4-(furan-2-yl)buta-1,3-dien-2-ylamino]urea
SMILESC=C(C=Cc1ccco1)NNC(N)=O
InChIInChI=1S/C9H11N3O2/c1-7(11-12-9(10)13)4-5-8-3-2-6-14-8/h2-6,11H,1H2,(H3,10,12,13)
InChIKeyODWFKWRWMWJCSR-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.98
Rot. Bonds4

About [4-(furan-2-yl)buta-1,3-dien-2-ylamino]urea

[4-(furan-2-yl)buta-1,3-dien-2-ylamino]urea (PubChem CID 5192993) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is [4-(furan-2-yl)buta-1,3-dien-2-ylamino]urea.

Molecular Properties

Compound Name[4-(furan-2-yl)buta-1,3-dien-2-ylamino]urea
PubChem CID5192993
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name[4-(furan-2-yl)buta-1,3-dien-2-ylamino]urea
SMILESC=C(C=Cc1ccco1)NNC(N)=O
InChIInChI=1S/C9H11N3O2/c1-7(11-12-9(10)13)4-5-8-3-2-6-14-8/h2-6,11H,1H2,(H3,10,12,13)
InChIKeyODWFKWRWMWJCSR-UHFFFAOYSA-N
XLogP0.98
TPSA80.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N'-[4-(furan-2-yl)buta-1,3-dien-2-yl]-2-(4-methylanilino)acetohydrazide
CID 3609219
CID 59090942
CID 59090942
3-(furan-2-yl)prop-2-enoic acid
CID 159116571
3-(furan-2-yl)prop-2-enoyl chloride
CID 53411285
(E)-1-amino-4-(furan-2-yl)but-3-en-2-one
CID 82502541
(1E,4Z)-1-(furan-2-yl)-5-phenylpenta-1,4-dien-3-one
CID 92904073
(E)-3-(furan-2-yl)-N-(hydroxymethyl)prop-2-enamide
CID 131239465
methyl 2-[3-(furan-2-yl)prop-2-enoylamino]propanoate
CID 60637985
(E)-3-(furan-2-yl)-N,N-dimethylprop-2-enamide
CID 11480633
1-(4-aminophenyl)-3-(furan-2-yl)prop-2-en-1-one
CID 2859153
[3-[3-(furan-2-yl)prop-2-enoyloxy]-2-oxopropyl] 3-(furan-2-yl)prop-2-enoate
CID 3400070
3-(furan-2-yl)-N-phenylprop-2-enamide
CID 578025

Frequently Asked Questions

What is the IUPAC name of [4-(furan-2-yl)buta-1,3-dien-2-ylamino]urea?
The IUPAC name of [4-(furan-2-yl)buta-1,3-dien-2-ylamino]urea (CID 5192993) is [4-(furan-2-yl)buta-1,3-dien-2-ylamino]urea.
What is the SMILES notation for [4-(furan-2-yl)buta-1,3-dien-2-ylamino]urea?
The canonical SMILES for [4-(furan-2-yl)buta-1,3-dien-2-ylamino]urea is C=C(C=Cc1ccco1)NNC(N)=O.
What is the InChIKey of [4-(furan-2-yl)buta-1,3-dien-2-ylamino]urea?
The InChIKey is ODWFKWRWMWJCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-7(11-12-9(10)13)4-5-8-3-2-6-14-8/h2-6,11H,1H2,(H3,10,12,13).
What are the key properties of [4-(furan-2-yl)buta-1,3-dien-2-ylamino]urea?
[4-(furan-2-yl)buta-1,3-dien-2-ylamino]urea has a molecular weight of 193.21 g/mol, XLogP of 0.98, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(furan-2-yl)buta-1,3-dien-2-ylamino]urea is sourced from PubChem (CID 5192993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).