4-[3-(furan-2-yl)-2-methylprop-2-enyl]-2-methyl-3,5-dihydro-2H-1,4-benzoxazepine

C18H21NO2 — CID 75100512

IUPAC4-[3-(furan-2-yl)-2-methylprop-2-enyl]-2-methyl-3,5-dihydro-2H-1,4-benzoxazepine
SMILESCC(=Cc1ccco1)CN1Cc2ccccc2OC(C)C1
InChIInChI=1S/C18H21NO2/c1-14(10-17-7-5-9-20-17)11-19-12-15(2)21-18-8-4-3-6-16(18)13-19/h3-10,15H,11-13H2,1-2H3
InChIKeyIPSXOGCQWCGCBY-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.97
Rot. Bonds3

About 4-[3-(furan-2-yl)-2-methylprop-2-enyl]-2-methyl-3,5-dihydro-2H-1,4-benzoxazepine

4-[3-(furan-2-yl)-2-methylprop-2-enyl]-2-methyl-3,5-dihydro-2H-1,4-benzoxazepine (PubChem CID 75100512) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 4-[3-(furan-2-yl)-2-methylprop-2-enyl]-2-methyl-3,5-dihydro-2H-1,4-benzoxazepine.

Molecular Properties

Compound Name4-[3-(furan-2-yl)-2-methylprop-2-enyl]-2-methyl-3,5-dihydro-2H-1,4-benzoxazepine
PubChem CID75100512
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name4-[3-(furan-2-yl)-2-methylprop-2-enyl]-2-methyl-3,5-dihydro-2H-1,4-benzoxazepine
SMILESCC(=Cc1ccco1)CN1Cc2ccccc2OC(C)C1
InChIInChI=1S/C18H21NO2/c1-14(10-17-7-5-9-20-17)11-19-12-15(2)21-18-8-4-3-6-16(18)13-19/h3-10,15H,11-13H2,1-2H3
InChIKeyIPSXOGCQWCGCBY-UHFFFAOYSA-N
XLogP3.97
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[3-(furan-2-yl)-2-methylprop-2-enyl]-2-methyl-3,5-dihydro-2H-1,4-benzoxazepine with MolForge

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Related Compounds

[1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-3-yl]methanamine
CID 50948250
2-(2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethanamine
CID 118758965
(2S)-4-(cyclopropylmethyl)-2-methyl-3,5-dihydro-2H-1,4-benzoxazepine
CID 42500743
2-methyl-4-(2-phenylpropyl)-3,5-dihydro-2H-1,4-benzoxazepine
CID 45202916
[(2S,4R)-4-(dimethylamino)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-2-yl]methanol
CID 50964237
3-[(2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methyl]phenol
CID 45213701
(2S)-4-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-2-(2-methoxyethyl)morpholine
CID 95147358
(2R)-4-[(3-fluorophenyl)methyl]-2-methyl-3,5-dihydro-2H-1,4-benzoxazepine
CID 42438630
2-methyl-4-[(5-methyl-1H-imidazol-2-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine
CID 126464538
5-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 42529918
N-[[(3S)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-3-yl]methyl]cyclopropanesulfonamide
CID 95202988
(3R,4R)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-4-(4-pyridin-2-ylpiperazin-1-yl)piperidin-3-ol
CID 56709992

Frequently Asked Questions

What is the IUPAC name of 4-[3-(furan-2-yl)-2-methylprop-2-enyl]-2-methyl-3,5-dihydro-2H-1,4-benzoxazepine?
The IUPAC name of 4-[3-(furan-2-yl)-2-methylprop-2-enyl]-2-methyl-3,5-dihydro-2H-1,4-benzoxazepine (CID 75100512) is 4-[3-(furan-2-yl)-2-methylprop-2-enyl]-2-methyl-3,5-dihydro-2H-1,4-benzoxazepine.
What is the SMILES notation for 4-[3-(furan-2-yl)-2-methylprop-2-enyl]-2-methyl-3,5-dihydro-2H-1,4-benzoxazepine?
The canonical SMILES for 4-[3-(furan-2-yl)-2-methylprop-2-enyl]-2-methyl-3,5-dihydro-2H-1,4-benzoxazepine is CC(=Cc1ccco1)CN1Cc2ccccc2OC(C)C1.
What is the InChIKey of 4-[3-(furan-2-yl)-2-methylprop-2-enyl]-2-methyl-3,5-dihydro-2H-1,4-benzoxazepine?
The InChIKey is IPSXOGCQWCGCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-14(10-17-7-5-9-20-17)11-19-12-15(2)21-18-8-4-3-6-16(18)13-19/h3-10,15H,11-13H2,1-2H3.
What are the key properties of 4-[3-(furan-2-yl)-2-methylprop-2-enyl]-2-methyl-3,5-dihydro-2H-1,4-benzoxazepine?
4-[3-(furan-2-yl)-2-methylprop-2-enyl]-2-methyl-3,5-dihydro-2H-1,4-benzoxazepine has a molecular weight of 283.37 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(furan-2-yl)-2-methylprop-2-enyl]-2-methyl-3,5-dihydro-2H-1,4-benzoxazepine is sourced from PubChem (CID 75100512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).