1-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]cycloheptane-1-carbonitrile

C15H24N2O3 — CID 102932743

IUPAC1-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]cycloheptane-1-carbonitrile
SMILESCC1CN(C(=O)C2(C#N)CCCCCC2)CC(CO)O1
InChIInChI=1S/C15H24N2O3/c1-12-8-17(9-13(10-18)20-12)14(19)15(11-16)6-4-2-3-5-7-15/h12-13,18H,2-10H2,1H3
InChIKeyHIOKIMGQJIKPAK-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.46
Rot. Bonds2

About 1-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]cycloheptane-1-carbonitrile

1-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]cycloheptane-1-carbonitrile (PubChem CID 102932743) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]cycloheptane-1-carbonitrile.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]cycloheptane-1-carbonitrile
PubChem CID102932743
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name1-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]cycloheptane-1-carbonitrile
SMILESCC1CN(C(=O)C2(C#N)CCCCCC2)CC(CO)O1
InChIInChI=1S/C15H24N2O3/c1-12-8-17(9-13(10-18)20-12)14(19)15(11-16)6-4-2-3-5-7-15/h12-13,18H,2-10H2,1H3
InChIKeyHIOKIMGQJIKPAK-UHFFFAOYSA-N
XLogP1.46
TPSA73.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-dimethylmorpholine-4-carbonyl)cyclobutane-1-carbonitrile
CID 78994637
(1-ethylcyclopentyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102934084
(1-aminocyclopropyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102932645
1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]cyclohexane-1-carbonitrile
CID 81203042
1-(3,4-dihydroxypyrrolidine-1-carbonyl)cyclohexane-1-carbonitrile
CID 106669285
[2-(chloromethyl)-6-methylmorpholin-4-yl]-(1-methylcyclopentyl)methanone
CID 102937471
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)cycloheptane-1-carbonitrile
CID 115559859
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(propan-2-ylamino)ethanone
CID 102932666
2-[2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-oxoethyl]sulfanylacetonitrile
CID 102934544
[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(3-propylpyrrolidin-3-yl)methanone
CID 102932553
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]but-2-yn-1-one
CID 107989722
1-(piperidine-1-carbonyl)cyclopentane-1-carbonitrile
CID 51073773

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]cycloheptane-1-carbonitrile?
The IUPAC name of 1-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]cycloheptane-1-carbonitrile (CID 102932743) is 1-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]cycloheptane-1-carbonitrile.
What is the SMILES notation for 1-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]cycloheptane-1-carbonitrile?
The canonical SMILES for 1-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]cycloheptane-1-carbonitrile is CC1CN(C(=O)C2(C#N)CCCCCC2)CC(CO)O1.
What is the InChIKey of 1-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]cycloheptane-1-carbonitrile?
The InChIKey is HIOKIMGQJIKPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-12-8-17(9-13(10-18)20-12)14(19)15(11-16)6-4-2-3-5-7-15/h12-13,18H,2-10H2,1H3.
What are the key properties of 1-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]cycloheptane-1-carbonitrile?
1-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]cycloheptane-1-carbonitrile has a molecular weight of 280.37 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]cycloheptane-1-carbonitrile is sourced from PubChem (CID 102932743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).