3-[(Z)-2-hydroxy-2-naphthalen-1-ylethenyl]-1,4-benzoxazin-2-one

C20H13NO3 — CID 135451187

IUPAC3-[(Z)-2-hydroxy-2-naphthalen-1-ylethenyl]-1,4-benzoxazin-2-one
SMILESO=c1oc2ccccc2nc1/C=C(\O)c1cccc2ccccc12
InChIInChI=1S/C20H13NO3/c22-18(15-9-5-7-13-6-1-2-8-14(13)15)12-17-20(23)24-19-11-4-3-10-16(19)21-17/h1-12,22H/b18-12-
InChIKeyOMCSDDVRKKACLB-PDGQHHTCSA-N
MW315.33 g/mol
LogP4.40
Rot. Bonds2

About 3-[(Z)-2-hydroxy-2-naphthalen-1-ylethenyl]-1,4-benzoxazin-2-one

3-[(Z)-2-hydroxy-2-naphthalen-1-ylethenyl]-1,4-benzoxazin-2-one (PubChem CID 135451187) has the molecular formula C20H13NO3 and a molecular weight of 315.33 g/mol. Its IUPAC name is 3-[(Z)-2-hydroxy-2-naphthalen-1-ylethenyl]-1,4-benzoxazin-2-one.

Molecular Properties

Compound Name3-[(Z)-2-hydroxy-2-naphthalen-1-ylethenyl]-1,4-benzoxazin-2-one
PubChem CID135451187
Molecular FormulaC20H13NO3
Molecular Weight315.33 g/mol
Exact Mass315.09
IUPAC Name3-[(Z)-2-hydroxy-2-naphthalen-1-ylethenyl]-1,4-benzoxazin-2-one
SMILESO=c1oc2ccccc2nc1/C=C(\O)c1cccc2ccccc12
InChIInChI=1S/C20H13NO3/c22-18(15-9-5-7-13-6-1-2-8-14(13)15)12-17-20(23)24-19-11-4-3-10-16(19)21-17/h1-12,22H/b18-12-
InChIKeyOMCSDDVRKKACLB-PDGQHHTCSA-N
XLogP4.40
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

3-[(Z)-2-hydroxy-2-thiophen-2-ylethenyl]-1,4-benzoxazin-2-one
CID 135408470
3-[(Z)-2-hydroxy-2-(5-methylfuran-2-yl)ethenyl]-1,4-benzoxazin-2-one
CID 135447246
3-[(1Z)-2-hydroxyhexa-1,5-dienyl]-1,4-benzoxazin-2-one
CID 139202972
3-[(Z)-2-(2,4-dimethyl-1,3-thiazol-5-yl)-2-hydroxyethenyl]-1,4-benzoxazin-2-one
CID 135408468
3-(2-hydroxy-2-phenylethenyl)-6-methyl-1,4-benzoxazin-2-one
CID 705110
3-ethyl-1,4-benzoxazin-2-one
CID 86094198
N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)naphthalene-1-carboxamide
CID 54247237
6-chloro-3-[(Z)-2-hydroxy-2-naphthalen-1-ylethenyl]-8-nitro-1H-quinoxalin-2-one
CID 135493799
4-hydroxy-3-[1-(4-hydroxy-2-oxochromen-3-yl)-2-naphthalen-1-yl-2-oxoethyl]chromen-2-one
CID 122387913
3-(benzenesulfonylmethyl)-1,4-benzoxazin-2-one
CID 802681
3-[2-(4-ethylphenyl)-2-hydroxyethenyl]-6-methyl-1,4-benzoxazin-2-one
CID 136882685
3-[(Z)-2-hydroxyprop-1-enyl]-7-methyl-1,4-benzoxazin-2-one
CID 135815350

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-2-hydroxy-2-naphthalen-1-ylethenyl]-1,4-benzoxazin-2-one?
The IUPAC name of 3-[(Z)-2-hydroxy-2-naphthalen-1-ylethenyl]-1,4-benzoxazin-2-one (CID 135451187) is 3-[(Z)-2-hydroxy-2-naphthalen-1-ylethenyl]-1,4-benzoxazin-2-one.
What is the SMILES notation for 3-[(Z)-2-hydroxy-2-naphthalen-1-ylethenyl]-1,4-benzoxazin-2-one?
The canonical SMILES for 3-[(Z)-2-hydroxy-2-naphthalen-1-ylethenyl]-1,4-benzoxazin-2-one is O=c1oc2ccccc2nc1/C=C(\O)c1cccc2ccccc12.
What is the InChIKey of 3-[(Z)-2-hydroxy-2-naphthalen-1-ylethenyl]-1,4-benzoxazin-2-one?
The InChIKey is OMCSDDVRKKACLB-PDGQHHTCSA-N. The full InChI is InChI=1S/C20H13NO3/c22-18(15-9-5-7-13-6-1-2-8-14(13)15)12-17-20(23)24-19-11-4-3-10-16(19)21-17/h1-12,22H/b18-12-.
What are the key properties of 3-[(Z)-2-hydroxy-2-naphthalen-1-ylethenyl]-1,4-benzoxazin-2-one?
3-[(Z)-2-hydroxy-2-naphthalen-1-ylethenyl]-1,4-benzoxazin-2-one has a molecular weight of 315.33 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-2-hydroxy-2-naphthalen-1-ylethenyl]-1,4-benzoxazin-2-one is sourced from PubChem (CID 135451187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).