[1-(3-ethyl-1-benzofuran-2-yl)ethylideneamino]urea

C13H15N3O2 — CID 73010672

IUPAC[1-(3-ethyl-1-benzofuran-2-yl)ethylideneamino]urea
SMILESCCc1c(C(C)=NNC(N)=O)oc2ccccc12
InChIInChI=1S/C13H15N3O2/c1-3-9-10-6-4-5-7-11(10)18-12(9)8(2)15-16-13(14)17/h4-7H,3H2,1-2H3,(H3,14,16,17)
InChIKeyCIJJYZCSMMYFQC-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.39
Rot. Bonds3

About [1-(3-ethyl-1-benzofuran-2-yl)ethylideneamino]urea

[1-(3-ethyl-1-benzofuran-2-yl)ethylideneamino]urea (PubChem CID 73010672) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is [1-(3-ethyl-1-benzofuran-2-yl)ethylideneamino]urea.

Molecular Properties

Compound Name[1-(3-ethyl-1-benzofuran-2-yl)ethylideneamino]urea
PubChem CID73010672
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name[1-(3-ethyl-1-benzofuran-2-yl)ethylideneamino]urea
SMILESCCc1c(C(C)=NNC(N)=O)oc2ccccc12
InChIInChI=1S/C13H15N3O2/c1-3-9-10-6-4-5-7-11(10)18-12(9)8(2)15-16-13(14)17/h4-7H,3H2,1-2H3,(H3,14,16,17)
InChIKeyCIJJYZCSMMYFQC-UHFFFAOYSA-N
XLogP2.39
TPSA80.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl N-[(Z)-1-(3-ethyl-1-benzofuran-2-yl)ethylideneamino]carbamate
CID 9075990
N-[(Z)-1-(3-ethyl-1-benzofuran-2-yl)ethylideneamino]pyridine-4-carboxamide
CID 9015206
3-[(2Z)-2-[1-(3-ethyl-1-benzofuran-2-yl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
CID 135784900
[1-(4-hydroxy-2-oxochromen-3-yl)ethylideneamino]urea
CID 135444488
[(Z)-1-(4-hydroxy-2-oxochromen-3-yl)ethylideneamino]urea
CID 136884261
3-ethyl-4-oxochromene-2-carboxamide
CID 151195222
(3-ethyl-1-benzofuran-2-yl)-(4-hydroxyphenyl)methanone
CID 12573980
1-(3-ethyl-1-benzofuran-2-yl)-3,3-dimethoxypropan-1-one
CID 115480642
3-(aminomethyl)-1-benzofuran-2-carboxamide
CID 47003249
3-ethyl-1-benzofuran-2-carboxamide;naphthalene-2-sulfonic acid
CID 174866164
ethyl 3-ethyl-4-oxochromene-2-carboxylate
CID 142682858
[1-(2-hydroxyphenyl)ethylideneamino]urea
CID 2732242

Frequently Asked Questions

What is the IUPAC name of [1-(3-ethyl-1-benzofuran-2-yl)ethylideneamino]urea?
The IUPAC name of [1-(3-ethyl-1-benzofuran-2-yl)ethylideneamino]urea (CID 73010672) is [1-(3-ethyl-1-benzofuran-2-yl)ethylideneamino]urea.
What is the SMILES notation for [1-(3-ethyl-1-benzofuran-2-yl)ethylideneamino]urea?
The canonical SMILES for [1-(3-ethyl-1-benzofuran-2-yl)ethylideneamino]urea is CCc1c(C(C)=NNC(N)=O)oc2ccccc12.
What is the InChIKey of [1-(3-ethyl-1-benzofuran-2-yl)ethylideneamino]urea?
The InChIKey is CIJJYZCSMMYFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-3-9-10-6-4-5-7-11(10)18-12(9)8(2)15-16-13(14)17/h4-7H,3H2,1-2H3,(H3,14,16,17).
What are the key properties of [1-(3-ethyl-1-benzofuran-2-yl)ethylideneamino]urea?
[1-(3-ethyl-1-benzofuran-2-yl)ethylideneamino]urea has a molecular weight of 245.28 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-ethyl-1-benzofuran-2-yl)ethylideneamino]urea is sourced from PubChem (CID 73010672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).