4-amino-3-(4-tert-butylphenyl)-1-oxaspiro[4.5]dec-3-en-2-one

C19H25NO2 — CID 147526508

IUPAC4-amino-3-(4-tert-butylphenyl)-1-oxaspiro[4.5]dec-3-en-2-one
SMILESCC(C)(C)c1ccc(C2=C(N)C3(CCCCC3)OC2=O)cc1
InChIInChI=1S/C19H25NO2/c1-18(2,3)14-9-7-13(8-10-14)15-16(20)19(22-17(15)21)11-5-4-6-12-19/h7-10H,4-6,11-12,20H2,1-3H3
InChIKeyFMEYLVYIPWGZRX-UHFFFAOYSA-N
MW299.41 g/mol
LogP3.91
Rot. Bonds1

About 4-amino-3-(4-tert-butylphenyl)-1-oxaspiro[4.5]dec-3-en-2-one

4-amino-3-(4-tert-butylphenyl)-1-oxaspiro[4.5]dec-3-en-2-one (PubChem CID 147526508) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is 4-amino-3-(4-tert-butylphenyl)-1-oxaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name4-amino-3-(4-tert-butylphenyl)-1-oxaspiro[4.5]dec-3-en-2-one
PubChem CID147526508
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name4-amino-3-(4-tert-butylphenyl)-1-oxaspiro[4.5]dec-3-en-2-one
SMILESCC(C)(C)c1ccc(C2=C(N)C3(CCCCC3)OC2=O)cc1
InChIInChI=1S/C19H25NO2/c1-18(2,3)14-9-7-13(8-10-14)15-16(20)19(22-17(15)21)11-5-4-6-12-19/h7-10H,4-6,11-12,20H2,1-3H3
InChIKeyFMEYLVYIPWGZRX-UHFFFAOYSA-N
XLogP3.91
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Methylamino)-3-[[4-(trifluoromethyl)phenyl]methyl]-1-oxaspiro[4.5]dec-3-en-2-one
CID 138977291
4-Amino-5,5-dimethyl-3-phenylfuran-2-one
CID 13433584
ethyl (E)-3-amino-2,4-diphenylbut-2-enoate
CID 101479139
(5S)-3-(4-tert-butylphenyl)-5-methyl-5-prop-2-enylfuran-2-one
CID 135042247
4-Amino-5-benzyl-5-methylfuran-2-one
CID 13433590
methyl 2-amino-5-phenyl-4,5,6,7-tetrahydro-3H-indene-1-carboxylate
CID 59271910
5-O-tert-butyl 1-O-methyl 2-amino-4-phenylpent-2-enedioate
CID 70260971
tert-butyl 2-[4-[(Z)-2-amino-3-oxo-3-phenylmethoxyprop-1-enyl]phenyl]-2-methylpropanoate
CID 71120229
Ethyl 2-aminospiro[cyclohexene-4,1'-indene]-1-carboxylate
CID 156386343
Acetyl 3-amino-4-(4-dec-1-ynylphenyl)-2-phenylbut-2-enoate
CID 173194897
methyl N-[4-(4-tert-butylphenyl)-2,5-dioxofuran-3-yl]carbamate
CID 10946614
(5S)-4-amino-5-benzyl-5-methylfuran-2-one
CID 101046878

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(4-tert-butylphenyl)-1-oxaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 4-amino-3-(4-tert-butylphenyl)-1-oxaspiro[4.5]dec-3-en-2-one (CID 147526508) is 4-amino-3-(4-tert-butylphenyl)-1-oxaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 4-amino-3-(4-tert-butylphenyl)-1-oxaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 4-amino-3-(4-tert-butylphenyl)-1-oxaspiro[4.5]dec-3-en-2-one is CC(C)(C)c1ccc(C2=C(N)C3(CCCCC3)OC2=O)cc1.
What is the InChIKey of 4-amino-3-(4-tert-butylphenyl)-1-oxaspiro[4.5]dec-3-en-2-one?
The InChIKey is FMEYLVYIPWGZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-18(2,3)14-9-7-13(8-10-14)15-16(20)19(22-17(15)21)11-5-4-6-12-19/h7-10H,4-6,11-12,20H2,1-3H3.
What are the key properties of 4-amino-3-(4-tert-butylphenyl)-1-oxaspiro[4.5]dec-3-en-2-one?
4-amino-3-(4-tert-butylphenyl)-1-oxaspiro[4.5]dec-3-en-2-one has a molecular weight of 299.41 g/mol, XLogP of 3.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(4-tert-butylphenyl)-1-oxaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 147526508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).