2-[2-(furan-2-yl)ethenyl]-3,1-benzoxazin-4-one

C14H9NO3 — CID 2732114

IUPAC2-[2-(furan-2-yl)ethenyl]-3,1-benzoxazin-4-one
SMILESO=c1oc(C=Cc2ccco2)nc2ccccc12
InChIInChI=1S/C14H9NO3/c16-14-11-5-1-2-6-12(11)15-13(18-14)8-7-10-4-3-9-17-10/h1-9H
InChIKeyBZVYAIVUIDKPTL-UHFFFAOYSA-N
MW239.23 g/mol
LogP2.95
Rot. Bonds2

About 2-[2-(furan-2-yl)ethenyl]-3,1-benzoxazin-4-one

2-[2-(furan-2-yl)ethenyl]-3,1-benzoxazin-4-one (PubChem CID 2732114) has the molecular formula C14H9NO3 and a molecular weight of 239.23 g/mol. Its IUPAC name is 2-[2-(furan-2-yl)ethenyl]-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name2-[2-(furan-2-yl)ethenyl]-3,1-benzoxazin-4-one
PubChem CID2732114
Molecular FormulaC14H9NO3
Molecular Weight239.23 g/mol
Exact Mass239.06
IUPAC Name2-[2-(furan-2-yl)ethenyl]-3,1-benzoxazin-4-one
SMILESO=c1oc(C=Cc2ccco2)nc2ccccc12
InChIInChI=1S/C14H9NO3/c16-14-11-5-1-2-6-12(11)15-13(18-14)8-7-10-4-3-9-17-10/h1-9H
InChIKeyBZVYAIVUIDKPTL-UHFFFAOYSA-N
XLogP2.95
TPSA56.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-4H-3,1-benzoxazin-4-one
CID 708717
2-(2-methoxyphenyl)-4H-3,1-benzoxazin-4-one
CID 752387
[2-[(E)-2-(4-oxo-3,1-benzoxazin-2-yl)ethenyl]phenyl] acetate
CID 5291337
4-[(E)-2-(4-oxo-4H-3,1-benzoxazin-2-yl)ethenyl]phenyl acetate
CID 5718167
2-(3-methoxyphenyl)-4H-3,1-benzoxazin-4-one
CID 699931
2-(4-ethoxyphenyl)-4H-3,1-benzoxazin-4-one
CID 714792
[2-(Furan-2-yl)-4-oxo-3,1-benzoxazin-6-yl] acetate
CID 695621
(4-oxo-1,2,3-benzotriazin-3-yl)methyl (E)-3-(furan-2-yl)prop-2-enoate
CID 2122512
2-(furan-2-yl)-4H-3,1-benzoxazin-4-one
CID 296003
2-Phenoxyethyl 2-aminobenzoate
CID 657660
Stk027832
CID 745996
2-(3-Propoxyphenyl)-3,1-benzoxazin-4-one
CID 1929706

Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-2-yl)ethenyl]-3,1-benzoxazin-4-one?
The IUPAC name of 2-[2-(furan-2-yl)ethenyl]-3,1-benzoxazin-4-one (CID 2732114) is 2-[2-(furan-2-yl)ethenyl]-3,1-benzoxazin-4-one.
What is the SMILES notation for 2-[2-(furan-2-yl)ethenyl]-3,1-benzoxazin-4-one?
The canonical SMILES for 2-[2-(furan-2-yl)ethenyl]-3,1-benzoxazin-4-one is O=c1oc(C=Cc2ccco2)nc2ccccc12.
What is the InChIKey of 2-[2-(furan-2-yl)ethenyl]-3,1-benzoxazin-4-one?
The InChIKey is BZVYAIVUIDKPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO3/c16-14-11-5-1-2-6-12(11)15-13(18-14)8-7-10-4-3-9-17-10/h1-9H.
What are the key properties of 2-[2-(furan-2-yl)ethenyl]-3,1-benzoxazin-4-one?
2-[2-(furan-2-yl)ethenyl]-3,1-benzoxazin-4-one has a molecular weight of 239.23 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-2-yl)ethenyl]-3,1-benzoxazin-4-one is sourced from PubChem (CID 2732114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).