(3R)-3,5,7-trimethyl-1-(2-morpholin-4-ylethyl)-3H-azepin-2-one

C15H24N2O2 — CID 92856701

IUPAC(3R)-3,5,7-trimethyl-1-(2-morpholin-4-ylethyl)-3H-azepin-2-one
SMILESCC1=C[C@@H](C)C(=O)N(CCN2CCOCC2)C(C)=C1
InChIInChI=1S/C15H24N2O2/c1-12-10-13(2)15(18)17(14(3)11-12)5-4-16-6-8-19-9-7-16/h10-11,13H,4-9H2,1-3H3/t13-/m1/s1
InChIKeyZATKVRIJXYUBSF-CYBMUJFWSA-N
MW264.37 g/mol
LogP1.65
Rot. Bonds3

About (3R)-3,5,7-trimethyl-1-(2-morpholin-4-ylethyl)-3H-azepin-2-one

(3R)-3,5,7-trimethyl-1-(2-morpholin-4-ylethyl)-3H-azepin-2-one (PubChem CID 92856701) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is (3R)-3,5,7-trimethyl-1-(2-morpholin-4-ylethyl)-3H-azepin-2-one.

Molecular Properties

Compound Name(3R)-3,5,7-trimethyl-1-(2-morpholin-4-ylethyl)-3H-azepin-2-one
PubChem CID92856701
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name(3R)-3,5,7-trimethyl-1-(2-morpholin-4-ylethyl)-3H-azepin-2-one
SMILESCC1=C[C@@H](C)C(=O)N(CCN2CCOCC2)C(C)=C1
InChIInChI=1S/C15H24N2O2/c1-12-10-13(2)15(18)17(14(3)11-12)5-4-16-6-8-19-9-7-16/h10-11,13H,4-9H2,1-3H3/t13-/m1/s1
InChIKeyZATKVRIJXYUBSF-CYBMUJFWSA-N
XLogP1.65
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,5,7-trimethyl-1-(2-pyrrolidin-1-ium-1-ylethyl)-3H-azepin-2-one chloride
CID 15490
1-[3-(dimethylamino)propyl]-3,5,7-trimethyl-3H-azepin-2-one;hydrochloride
CID 138398218
(3S)-3,5,7-trimethyl-1-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]-3H-azepin-2-one
CID 95565823
(3aR,6aS)-5-(2-morpholin-4-ylethyl)-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione
CID 46201661
(1R,2S,6S,7S)-4-(2-morpholin-4-ylethyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 6559550
(3aR,4S,7S,7aR)-2-(2-morpholin-4-ylethyl)-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione
CID 98542176
5-amino-2-methyl-4-(2-morpholin-4-ylethyl)-1,4-benzoxazin-3-one
CID 82345993
(3S)-3-amino-1-(2-morpholin-4-ylethyl)pyrrolidine-2,5-dione
CID 39220953
3-amino-5-methyl-1-(2-morpholin-4-ylethyl)-3H-indol-2-one
CID 43254791
N-methyl-N-[(3-methylcyclopropen-1-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 171540310
3,4-dimethyl-1-(3-morpholin-4-ylpropyl)pyrrole-2,5-dione
CID 25246712
(3aS,7aR)-5-chloro-2-(2-morpholin-4-ylethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 712391

Frequently Asked Questions

What is the IUPAC name of (3R)-3,5,7-trimethyl-1-(2-morpholin-4-ylethyl)-3H-azepin-2-one?
The IUPAC name of (3R)-3,5,7-trimethyl-1-(2-morpholin-4-ylethyl)-3H-azepin-2-one (CID 92856701) is (3R)-3,5,7-trimethyl-1-(2-morpholin-4-ylethyl)-3H-azepin-2-one.
What is the SMILES notation for (3R)-3,5,7-trimethyl-1-(2-morpholin-4-ylethyl)-3H-azepin-2-one?
The canonical SMILES for (3R)-3,5,7-trimethyl-1-(2-morpholin-4-ylethyl)-3H-azepin-2-one is CC1=C[C@@H](C)C(=O)N(CCN2CCOCC2)C(C)=C1.
What is the InChIKey of (3R)-3,5,7-trimethyl-1-(2-morpholin-4-ylethyl)-3H-azepin-2-one?
The InChIKey is ZATKVRIJXYUBSF-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-12-10-13(2)15(18)17(14(3)11-12)5-4-16-6-8-19-9-7-16/h10-11,13H,4-9H2,1-3H3/t13-/m1/s1.
What are the key properties of (3R)-3,5,7-trimethyl-1-(2-morpholin-4-ylethyl)-3H-azepin-2-one?
(3R)-3,5,7-trimethyl-1-(2-morpholin-4-ylethyl)-3H-azepin-2-one has a molecular weight of 264.37 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3,5,7-trimethyl-1-(2-morpholin-4-ylethyl)-3H-azepin-2-one is sourced from PubChem (CID 92856701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).