2-[bis(prop-2-enyl)amino]-1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone

C16H20N2O2 — CID 82260676

IUPAC2-[bis(prop-2-enyl)amino]-1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone
SMILESC=CCN(CC=C)CC(=O)c1ccc2c(c1)NCCO2
InChIInChI=1S/C16H20N2O2/c1-3-8-18(9-4-2)12-15(19)13-5-6-16-14(11-13)17-7-10-20-16/h3-6,11,17H,1-2,7-10,12H2
InChIKeyYWYWDHYRMOLRBG-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.35
Rot. Bonds7

About 2-[bis(prop-2-enyl)amino]-1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone

2-[bis(prop-2-enyl)amino]-1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone (PubChem CID 82260676) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[bis(prop-2-enyl)amino]-1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone.

Molecular Properties

Compound Name2-[bis(prop-2-enyl)amino]-1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone
PubChem CID82260676
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-[bis(prop-2-enyl)amino]-1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone
SMILESC=CCN(CC=C)CC(=O)c1ccc2c(c1)NCCO2
InChIInChI=1S/C16H20N2O2/c1-3-8-18(9-4-2)12-15(19)13-5-6-16-14(11-13)17-7-10-20-16/h3-6,11,17H,1-2,7-10,12H2
InChIKeyYWYWDHYRMOLRBG-UHFFFAOYSA-N
XLogP2.35
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(diethylamino)-1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone
CID 82050770
1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-(prop-2-enylamino)ethanone
CID 82261181
2-[bis(2-methoxyethyl)amino]-1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone
CID 95415184
2-[cyclohexyl(methyl)amino]-1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone
CID 82260674
4-amino-1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)butan-1-one
CID 82341394
1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-pyrrolidin-1-ylethanone
CID 82050767
1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-propylsulfanylethanone
CID 82050777
1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-3-morpholin-4-ylpropan-1-one
CID 82050758
2-[benzyl(propan-2-yl)amino]-1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone
CID 82260672
2-(benzylamino)-1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone
CID 82261178
2-[2-(cyclohexen-1-yl)ethylamino]-1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone
CID 82261215
1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-(furan-2-ylmethylamino)ethanone
CID 82261175

Frequently Asked Questions

What is the IUPAC name of 2-[bis(prop-2-enyl)amino]-1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone?
The IUPAC name of 2-[bis(prop-2-enyl)amino]-1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone (CID 82260676) is 2-[bis(prop-2-enyl)amino]-1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone.
What is the SMILES notation for 2-[bis(prop-2-enyl)amino]-1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone?
The canonical SMILES for 2-[bis(prop-2-enyl)amino]-1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone is C=CCN(CC=C)CC(=O)c1ccc2c(c1)NCCO2.
What is the InChIKey of 2-[bis(prop-2-enyl)amino]-1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone?
The InChIKey is YWYWDHYRMOLRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-3-8-18(9-4-2)12-15(19)13-5-6-16-14(11-13)17-7-10-20-16/h3-6,11,17H,1-2,7-10,12H2.
What are the key properties of 2-[bis(prop-2-enyl)amino]-1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone?
2-[bis(prop-2-enyl)amino]-1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone has a molecular weight of 272.35 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(prop-2-enyl)amino]-1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone is sourced from PubChem (CID 82260676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).