(6S)-6-(2-methylpropylamino)-3-morpholin-4-ylcyclohexa-2,4-dien-1-one

C14H22N2O2 — CID 141437296

IUPAC(6S)-6-(2-methylpropylamino)-3-morpholin-4-ylcyclohexa-2,4-dien-1-one
SMILESCC(C)CN[C@H]1C=CC(N2CCOCC2)=CC1=O
InChIInChI=1S/C14H22N2O2/c1-11(2)10-15-13-4-3-12(9-14(13)17)16-5-7-18-8-6-16/h3-4,9,11,13,15H,5-8,10H2,1-2H3/t13-/m0/s1
InChIKeyLHDBWQSTPOKJMF-ZDUSSCGKSA-N
MW250.34 g/mol
LogP0.96
Rot. Bonds4

About (6S)-6-(2-methylpropylamino)-3-morpholin-4-ylcyclohexa-2,4-dien-1-one

(6S)-6-(2-methylpropylamino)-3-morpholin-4-ylcyclohexa-2,4-dien-1-one (PubChem CID 141437296) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is (6S)-6-(2-methylpropylamino)-3-morpholin-4-ylcyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name(6S)-6-(2-methylpropylamino)-3-morpholin-4-ylcyclohexa-2,4-dien-1-one
PubChem CID141437296
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name(6S)-6-(2-methylpropylamino)-3-morpholin-4-ylcyclohexa-2,4-dien-1-one
SMILESCC(C)CN[C@H]1C=CC(N2CCOCC2)=CC1=O
InChIInChI=1S/C14H22N2O2/c1-11(2)10-15-13-4-3-12(9-14(13)17)16-5-7-18-8-6-16/h3-4,9,11,13,15H,5-8,10H2,1-2H3/t13-/m0/s1
InChIKeyLHDBWQSTPOKJMF-ZDUSSCGKSA-N
XLogP0.96
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-6-morpholin-4-ylcyclohexa-2,4-dien-1-one
CID 139390465
ethyl N-(4-morpholin-4-yl-6-oxocyclohexa-2,4-dien-1-yl)carbamate
CID 141359388
(6S)-6-(2-methylpropylamino)-3-piperidin-1-ylcyclohexa-2,4-dien-1-one
CID 141437297

Frequently Asked Questions

What is the IUPAC name of (6S)-6-(2-methylpropylamino)-3-morpholin-4-ylcyclohexa-2,4-dien-1-one?
The IUPAC name of (6S)-6-(2-methylpropylamino)-3-morpholin-4-ylcyclohexa-2,4-dien-1-one (CID 141437296) is (6S)-6-(2-methylpropylamino)-3-morpholin-4-ylcyclohexa-2,4-dien-1-one.
What is the SMILES notation for (6S)-6-(2-methylpropylamino)-3-morpholin-4-ylcyclohexa-2,4-dien-1-one?
The canonical SMILES for (6S)-6-(2-methylpropylamino)-3-morpholin-4-ylcyclohexa-2,4-dien-1-one is CC(C)CN[C@H]1C=CC(N2CCOCC2)=CC1=O.
What is the InChIKey of (6S)-6-(2-methylpropylamino)-3-morpholin-4-ylcyclohexa-2,4-dien-1-one?
The InChIKey is LHDBWQSTPOKJMF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11(2)10-15-13-4-3-12(9-14(13)17)16-5-7-18-8-6-16/h3-4,9,11,13,15H,5-8,10H2,1-2H3/t13-/m0/s1.
What are the key properties of (6S)-6-(2-methylpropylamino)-3-morpholin-4-ylcyclohexa-2,4-dien-1-one?
(6S)-6-(2-methylpropylamino)-3-morpholin-4-ylcyclohexa-2,4-dien-1-one has a molecular weight of 250.34 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-(2-methylpropylamino)-3-morpholin-4-ylcyclohexa-2,4-dien-1-one is sourced from PubChem (CID 141437296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).