1-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-3-prop-2-enylurea

C11H21N3O2 — CID 92533024

IUPAC1-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-3-prop-2-enylurea
SMILESC=CCNC(=O)NCN1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C11H21N3O2/c1-4-5-12-11(15)13-8-14-6-9(2)16-10(3)7-14/h4,9-10H,1,5-8H2,2-3H3,(H2,12,13,15)/t9-,10+
InChIKeyCSFKOOASRXLKDY-AOOOYVTPSA-N
MW227.31 g/mol
LogP0.54
Rot. Bonds4

About 1-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-3-prop-2-enylurea

1-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-3-prop-2-enylurea (PubChem CID 92533024) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-3-prop-2-enylurea.

Molecular Properties

Compound Name1-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-3-prop-2-enylurea
PubChem CID92533024
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name1-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-3-prop-2-enylurea
SMILESC=CCNC(=O)NCN1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C11H21N3O2/c1-4-5-12-11(15)13-8-14-6-9(2)16-10(3)7-14/h4,9-10H,1,5-8H2,2-3H3,(H2,12,13,15)/t9-,10+
InChIKeyCSFKOOASRXLKDY-AOOOYVTPSA-N
XLogP0.54
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(Morpholin-4-ylmethyl)-3-prop-2-enylurea
CID 249769
N-butyl-N-prop-2-enylmorpholine-4-carboxamide
CID 15136640
N-(1-morpholin-4-ylethyl)prop-2-enamide
CID 18539662
N-allylmorpholine-4-carboxamide
CID 50901837
1-[3-(2,6-Dimethylmorpholin-4-yl)propyl]-3-ethylurea
CID 58817789
N-(4-propylmorpholin-3-yl)prop-2-enamide
CID 66614706
N-[4-(2-methylprop-2-enoyl)morpholin-3-yl]prop-2-enamide
CID 69347219
2,6-dimethyl-N-prop-2-enylmorpholine-4-carboxamide
CID 70349069
(2R,6R)-2,6-dimethyl-N-prop-2-enylmorpholine-4-carboxamide
CID 70394361
(2S,6R)-2,6-dimethyl-N-prop-2-enylmorpholine-4-carboxamide
CID 70395377
2,6-dimethyl-N-propylmorpholine-4-carboxamide
CID 78786426
N-ethyl-2,6-dimethylmorpholine-4-carboxamide
CID 89128876

Frequently Asked Questions

What is the IUPAC name of 1-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-3-prop-2-enylurea?
The IUPAC name of 1-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-3-prop-2-enylurea (CID 92533024) is 1-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-3-prop-2-enylurea.
What is the SMILES notation for 1-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-3-prop-2-enylurea?
The canonical SMILES for 1-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-3-prop-2-enylurea is C=CCNC(=O)NCN1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of 1-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-3-prop-2-enylurea?
The InChIKey is CSFKOOASRXLKDY-AOOOYVTPSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-4-5-12-11(15)13-8-14-6-9(2)16-10(3)7-14/h4,9-10H,1,5-8H2,2-3H3,(H2,12,13,15)/t9-,10+.
What are the key properties of 1-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-3-prop-2-enylurea?
1-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-3-prop-2-enylurea has a molecular weight of 227.31 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-3-prop-2-enylurea is sourced from PubChem (CID 92533024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).