(2,2-dimethylcyclopropyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone

C11H19NO3 — CID 107002178

IUPAC(2,2-dimethylcyclopropyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone
SMILESCC1(C)CC1C(=O)N1CCOCC1CO
InChIInChI=1S/C11H19NO3/c1-11(2)5-9(11)10(14)12-3-4-15-7-8(12)6-13/h8-9,13H,3-7H2,1-2H3
InChIKeyHNCSRXHOPLEVTL-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.25
Rot. Bonds2

About (2,2-dimethylcyclopropyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone

(2,2-dimethylcyclopropyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone (PubChem CID 107002178) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is (2,2-dimethylcyclopropyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(2,2-dimethylcyclopropyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone
PubChem CID107002178
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name(2,2-dimethylcyclopropyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone
SMILESCC1(C)CC1C(=O)N1CCOCC1CO
InChIInChI=1S/C11H19NO3/c1-11(2)5-9(11)10(14)12-3-4-15-7-8(12)6-13/h8-9,13H,3-7H2,1-2H3
InChIKeyHNCSRXHOPLEVTL-UHFFFAOYSA-N
XLogP0.25
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3R)-4-[(1S)-2,2-dimethylcyclopropanecarbonyl]morpholin-3-yl]acetic acid
CID 129414261
(2,2-dimethylcyclopropyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 103915216
methyl 4-(2,2-dimethylcyclopropanecarbonyl)morpholine-3-carboxylate
CID 103837995
[3-(hydroxymethyl)morpholin-4-yl]-(1-propan-2-ylpiperidin-4-yl)methanone
CID 70650528
(5-amino-2,4-dimethylcyclohexyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 102706931
(2S)-2-amino-1-[3-(hydroxymethyl)morpholin-4-yl]-4-methylpentan-1-one
CID 104877390
(5-chloropyrazin-2-yl)-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 107372202
[3-(hydroxymethyl)morpholin-4-yl]-[5-(propylamino)pyrazin-2-yl]methanone
CID 107377022
prop-2-enyl 3-(hydroxymethyl)morpholine-4-carboxylate
CID 19915005
[(2S)-2-(bromomethyl)pyrrolidin-1-yl]-(2,2-dimethylcyclopropyl)methanone
CID 164648318
[(3S)-4-methylmorpholin-3-yl]methanol
CID 58666450
(2S)-2-[[3-(hydroxymethyl)morpholine-4-carbonyl]amino]butanoic acid
CID 104877480

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylcyclopropyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone?
The IUPAC name of (2,2-dimethylcyclopropyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone (CID 107002178) is (2,2-dimethylcyclopropyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone.
What is the SMILES notation for (2,2-dimethylcyclopropyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone?
The canonical SMILES for (2,2-dimethylcyclopropyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone is CC1(C)CC1C(=O)N1CCOCC1CO.
What is the InChIKey of (2,2-dimethylcyclopropyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone?
The InChIKey is HNCSRXHOPLEVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-11(2)5-9(11)10(14)12-3-4-15-7-8(12)6-13/h8-9,13H,3-7H2,1-2H3.
What are the key properties of (2,2-dimethylcyclopropyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone?
(2,2-dimethylcyclopropyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone has a molecular weight of 213.28 g/mol, XLogP of 0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylcyclopropyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 107002178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).