1-methyl-3-[(1S)-1-[(2S)-4-methylmorpholin-2-yl]ethyl]-1-prop-2-enylurea

C12H23N3O2 — CID 99856554

IUPAC1-methyl-3-[(1S)-1-[(2S)-4-methylmorpholin-2-yl]ethyl]-1-prop-2-enylurea
SMILESC=CCN(C)C(=O)N[C@@H](C)[C@@H]1CN(C)CCO1
InChIInChI=1S/C12H23N3O2/c1-5-6-15(4)12(16)13-10(2)11-9-14(3)7-8-17-11/h5,10-11H,1,6-9H2,2-4H3,(H,13,16)/t10-,11-/m0/s1
InChIKeyHEAPRBFICXDFGQ-QWRGUYRKSA-N
MW241.33 g/mol
LogP0.53
Rot. Bonds4

About 1-methyl-3-[(1S)-1-[(2S)-4-methylmorpholin-2-yl]ethyl]-1-prop-2-enylurea

1-methyl-3-[(1S)-1-[(2S)-4-methylmorpholin-2-yl]ethyl]-1-prop-2-enylurea (PubChem CID 99856554) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-methyl-3-[(1S)-1-[(2S)-4-methylmorpholin-2-yl]ethyl]-1-prop-2-enylurea.

Molecular Properties

Compound Name1-methyl-3-[(1S)-1-[(2S)-4-methylmorpholin-2-yl]ethyl]-1-prop-2-enylurea
PubChem CID99856554
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name1-methyl-3-[(1S)-1-[(2S)-4-methylmorpholin-2-yl]ethyl]-1-prop-2-enylurea
SMILESC=CCN(C)C(=O)N[C@@H](C)[C@@H]1CN(C)CCO1
InChIInChI=1S/C12H23N3O2/c1-5-6-15(4)12(16)13-10(2)11-9-14(3)7-8-17-11/h5,10-11H,1,6-9H2,2-4H3,(H,13,16)/t10-,11-/m0/s1
InChIKeyHEAPRBFICXDFGQ-QWRGUYRKSA-N
XLogP0.53
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Cyclopropyl-3-(2-morpholin-4-ylethyl)-1-prop-2-enylurea
CID 75440963
1-(Morpholin-4-ylmethyl)-3-prop-2-enylurea
CID 249769
1-Allyl-6-ethoxy-4-methylhexahydropyrimidin-2-one
CID 19376132
2,6-dimethyl-N-propan-2-ylmorpholine-4-carboxamide
CID 45860357
N-allylmorpholine-4-carboxamide
CID 50901837
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
4-Ethoxy-6-methyl-1-prop-2-enyl-1,3-diazinan-2-one
CID 70472879
N-[(5E)-6-amino-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]hexa-1,5-dien-3-yl]formamide
CID 89214851
N-[(2-ethylmorpholin-4-yl)methyl]prop-2-enamide
CID 156693084
(2R)-N-[(2R)-butan-2-yl]-2-methylmorpholine-4-carboxamide
CID 167134991

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(1S)-1-[(2S)-4-methylmorpholin-2-yl]ethyl]-1-prop-2-enylurea?
The IUPAC name of 1-methyl-3-[(1S)-1-[(2S)-4-methylmorpholin-2-yl]ethyl]-1-prop-2-enylurea (CID 99856554) is 1-methyl-3-[(1S)-1-[(2S)-4-methylmorpholin-2-yl]ethyl]-1-prop-2-enylurea.
What is the SMILES notation for 1-methyl-3-[(1S)-1-[(2S)-4-methylmorpholin-2-yl]ethyl]-1-prop-2-enylurea?
The canonical SMILES for 1-methyl-3-[(1S)-1-[(2S)-4-methylmorpholin-2-yl]ethyl]-1-prop-2-enylurea is C=CCN(C)C(=O)N[C@@H](C)[C@@H]1CN(C)CCO1.
What is the InChIKey of 1-methyl-3-[(1S)-1-[(2S)-4-methylmorpholin-2-yl]ethyl]-1-prop-2-enylurea?
The InChIKey is HEAPRBFICXDFGQ-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-5-6-15(4)12(16)13-10(2)11-9-14(3)7-8-17-11/h5,10-11H,1,6-9H2,2-4H3,(H,13,16)/t10-,11-/m0/s1.
What are the key properties of 1-methyl-3-[(1S)-1-[(2S)-4-methylmorpholin-2-yl]ethyl]-1-prop-2-enylurea?
1-methyl-3-[(1S)-1-[(2S)-4-methylmorpholin-2-yl]ethyl]-1-prop-2-enylurea has a molecular weight of 241.33 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(1S)-1-[(2S)-4-methylmorpholin-2-yl]ethyl]-1-prop-2-enylurea is sourced from PubChem (CID 99856554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).