3-[(Z)-3-phenylprop-2-enyl]pyrido[2,3-e][1,3]oxazine-2,4-dione

C16H12N2O3 — CID 99865788

IUPAC3-[(Z)-3-phenylprop-2-enyl]pyrido[2,3-e][1,3]oxazine-2,4-dione
SMILESO=c1oc2cccnc2c(=O)n1C/C=C\c1ccccc1
InChIInChI=1S/C16H12N2O3/c19-15-14-13(9-4-10-17-14)21-16(20)18(15)11-5-8-12-6-2-1-3-7-12/h1-10H,11H2/b8-5-
InChIKeyCWRCHNAJYIIWND-YVMONPNESA-N
MW280.28 g/mol
LogP2.06
Rot. Bonds3

About 3-[(Z)-3-phenylprop-2-enyl]pyrido[2,3-e][1,3]oxazine-2,4-dione

3-[(Z)-3-phenylprop-2-enyl]pyrido[2,3-e][1,3]oxazine-2,4-dione (PubChem CID 99865788) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is 3-[(Z)-3-phenylprop-2-enyl]pyrido[2,3-e][1,3]oxazine-2,4-dione.

Molecular Properties

Compound Name3-[(Z)-3-phenylprop-2-enyl]pyrido[2,3-e][1,3]oxazine-2,4-dione
PubChem CID99865788
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC Name3-[(Z)-3-phenylprop-2-enyl]pyrido[2,3-e][1,3]oxazine-2,4-dione
SMILESO=c1oc2cccnc2c(=O)n1C/C=C\c1ccccc1
InChIInChI=1S/C16H12N2O3/c19-15-14-13(9-4-10-17-14)21-16(20)18(15)11-5-8-12-6-2-1-3-7-12/h1-10H,11H2/b8-5-
InChIKeyCWRCHNAJYIIWND-YVMONPNESA-N
XLogP2.06
TPSA65.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-[5-(2-phenylethenyl)tetrazol-1-yl]ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 91943763
1-(3-phenylprop-2-enyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
CID 175517737
1-[(E)-3-phenylprop-2-enyl]-3-(pyridin-2-ylmethyl)imidazolidin-2-one
CID 14834287
3-(pyridin-2-ylmethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 75509161
3-[(E)-3-phenylprop-2-enyl]quinazolin-4-one
CID 7772208
1-[(E)-3-phenylprop-2-enyl]pyrrolo[2,3-b]pyridine
CID 135062929
[(E)-3-phenylprop-2-enyl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 8727983
5-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]quinolin-8-ol
CID 4269194
1-(3-phenylprop-2-enyl)pyrrolo[2,3-b]pyridine-3-carbaldehyde
CID 77133242
3-pent-4-ynyl-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 115872228
1-[(E)-3-phenylprop-2-enyl]pyridin-4-one
CID 116622263
3-[(2-chloro-3-pyridinyl)methyl]-1,3-benzoxazol-2-one
CID 62470052

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-3-phenylprop-2-enyl]pyrido[2,3-e][1,3]oxazine-2,4-dione?
The IUPAC name of 3-[(Z)-3-phenylprop-2-enyl]pyrido[2,3-e][1,3]oxazine-2,4-dione (CID 99865788) is 3-[(Z)-3-phenylprop-2-enyl]pyrido[2,3-e][1,3]oxazine-2,4-dione.
What is the SMILES notation for 3-[(Z)-3-phenylprop-2-enyl]pyrido[2,3-e][1,3]oxazine-2,4-dione?
The canonical SMILES for 3-[(Z)-3-phenylprop-2-enyl]pyrido[2,3-e][1,3]oxazine-2,4-dione is O=c1oc2cccnc2c(=O)n1C/C=C\c1ccccc1.
What is the InChIKey of 3-[(Z)-3-phenylprop-2-enyl]pyrido[2,3-e][1,3]oxazine-2,4-dione?
The InChIKey is CWRCHNAJYIIWND-YVMONPNESA-N. The full InChI is InChI=1S/C16H12N2O3/c19-15-14-13(9-4-10-17-14)21-16(20)18(15)11-5-8-12-6-2-1-3-7-12/h1-10H,11H2/b8-5-.
What are the key properties of 3-[(Z)-3-phenylprop-2-enyl]pyrido[2,3-e][1,3]oxazine-2,4-dione?
3-[(Z)-3-phenylprop-2-enyl]pyrido[2,3-e][1,3]oxazine-2,4-dione has a molecular weight of 280.28 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-3-phenylprop-2-enyl]pyrido[2,3-e][1,3]oxazine-2,4-dione is sourced from PubChem (CID 99865788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).