1-methyl-3-[(4-prop-2-enoylmorpholin-2-yl)methyl]urea

C10H17N3O3 — CID 139015420

IUPAC1-methyl-3-[(4-prop-2-enoylmorpholin-2-yl)methyl]urea
SMILESC=CC(=O)N1CCOC(CNC(=O)NC)C1
InChIInChI=1S/C10H17N3O3/c1-3-9(14)13-4-5-16-8(7-13)6-12-10(15)11-2/h3,8H,1,4-7H2,2H3,(H2,11,12,15)
InChIKeyHTPGQFFWWXJKJO-UHFFFAOYSA-N
MW227.26 g/mol
LogP-0.67
Rot. Bonds3

About 1-methyl-3-[(4-prop-2-enoylmorpholin-2-yl)methyl]urea

1-methyl-3-[(4-prop-2-enoylmorpholin-2-yl)methyl]urea (PubChem CID 139015420) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 1-methyl-3-[(4-prop-2-enoylmorpholin-2-yl)methyl]urea.

Molecular Properties

Compound Name1-methyl-3-[(4-prop-2-enoylmorpholin-2-yl)methyl]urea
PubChem CID139015420
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name1-methyl-3-[(4-prop-2-enoylmorpholin-2-yl)methyl]urea
SMILESC=CC(=O)N1CCOC(CNC(=O)NC)C1
InChIInChI=1S/C10H17N3O3/c1-3-9(14)13-4-5-16-8(7-13)6-12-10(15)11-2/h3,8H,1,4-7H2,2H3,(H2,11,12,15)
InChIKeyHTPGQFFWWXJKJO-UHFFFAOYSA-N
XLogP-0.67
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(4-prop-2-enoylmorpholin-2-yl)acetic acid
CID 66419978
5,6-dimethyl-N-[(4-prop-2-enoylmorpholin-2-yl)methyl]pyridine-2-carboxamide
CID 172888596
4-[(3-fluorophenyl)methyl]-N-[(4-prop-2-enoylmorpholin-2-yl)methyl]benzamide
CID 172888597
1-methyl-3-[[4-[2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetyl]morpholin-2-yl]methyl]urea
CID 167812139
(2R)-2-(methylaminomethyl)morpholine-4-carboxylic acid
CID 138694205
2-[(methylcarbamoylamino)methyl]-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)morpholine-4-carboxamide
CID 167769496
N-(4-ethylphenyl)-2-[(2R)-4-prop-2-enoylmorpholin-2-yl]acetamide
CID 172889629
1-[2-(difluoromethyl)morpholin-4-yl]prop-2-en-1-one
CID 136572489
cyclopropyl-[(2S)-2-(methylaminomethyl)morpholin-4-yl]methanone
CID 166684105
1-[2-[(propan-2-ylamino)methyl]morpholin-4-yl]ethanone
CID 166157668
2-methyl-1-[(2S)-2-(methylaminomethyl)morpholin-4-yl]propan-1-one
CID 139553521
1-[[4-(4-methoxypyrazolo[1,5-a]pyridine-3-carbonyl)morpholin-2-yl]methyl]-3-methylurea
CID 136565605

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(4-prop-2-enoylmorpholin-2-yl)methyl]urea?
The IUPAC name of 1-methyl-3-[(4-prop-2-enoylmorpholin-2-yl)methyl]urea (CID 139015420) is 1-methyl-3-[(4-prop-2-enoylmorpholin-2-yl)methyl]urea.
What is the SMILES notation for 1-methyl-3-[(4-prop-2-enoylmorpholin-2-yl)methyl]urea?
The canonical SMILES for 1-methyl-3-[(4-prop-2-enoylmorpholin-2-yl)methyl]urea is C=CC(=O)N1CCOC(CNC(=O)NC)C1.
What is the InChIKey of 1-methyl-3-[(4-prop-2-enoylmorpholin-2-yl)methyl]urea?
The InChIKey is HTPGQFFWWXJKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-3-9(14)13-4-5-16-8(7-13)6-12-10(15)11-2/h3,8H,1,4-7H2,2H3,(H2,11,12,15).
What are the key properties of 1-methyl-3-[(4-prop-2-enoylmorpholin-2-yl)methyl]urea?
1-methyl-3-[(4-prop-2-enoylmorpholin-2-yl)methyl]urea has a molecular weight of 227.26 g/mol, XLogP of -0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(4-prop-2-enoylmorpholin-2-yl)methyl]urea is sourced from PubChem (CID 139015420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).