morpholin-2-yl 2-methylpent-2-enoate

C10H17NO3 — CID 174849985

IUPACmorpholin-2-yl 2-methylpent-2-enoate
SMILESCCC=C(C)C(=O)OC1CNCCO1
InChIInChI=1S/C10H17NO3/c1-3-4-8(2)10(12)14-9-7-11-5-6-13-9/h4,9,11H,3,5-7H2,1-2H3
InChIKeyIHPLQKQERBMLSX-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.83
Rot. Bonds3

About morpholin-2-yl 2-methylpent-2-enoate

morpholin-2-yl 2-methylpent-2-enoate (PubChem CID 174849985) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is morpholin-2-yl 2-methylpent-2-enoate.

Molecular Properties

Compound Namemorpholin-2-yl 2-methylpent-2-enoate
PubChem CID174849985
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Namemorpholin-2-yl 2-methylpent-2-enoate
SMILESCCC=C(C)C(=O)OC1CNCCO1
InChIInChI=1S/C10H17NO3/c1-3-4-8(2)10(12)14-9-7-11-5-6-13-9/h4,9,11H,3,5-7H2,1-2H3
InChIKeyIHPLQKQERBMLSX-UHFFFAOYSA-N
XLogP0.83
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

morpholin-2-yl carbamate
CID 165011060
morpholin-2-yl hydrogen carbonate
CID 70064874
morpholin-2-yl prop-2-enoate
CID 22497789
oxiran-2-ylmethyl 2-methylpent-2-enoate
CID 57029570
morpholin-2-yl formate
CID 91405229
2-hex-3-en-3-ylmorpholine
CID 68590552
2-bromomorpholine;propanal
CID 174656620
N-(azetidin-3-yl)-2-methylpent-2-enamide
CID 77114451
(E)-2-methyl-N-[[(3R)-piperidin-3-yl]methyl]pent-2-enamide
CID 99978745
ethyl (E)-2-methylpent-2-enoate
CID 6436311
ethyl (E)-2-methyl-3-(1,3-oxazolidin-2-yl)prop-2-enoate
CID 87369583
(Z)-2-methyl-1-[(2S)-2-methylpiperazin-1-yl]pent-2-en-1-one
CID 82704552

Frequently Asked Questions

What is the IUPAC name of morpholin-2-yl 2-methylpent-2-enoate?
The IUPAC name of morpholin-2-yl 2-methylpent-2-enoate (CID 174849985) is morpholin-2-yl 2-methylpent-2-enoate.
What is the SMILES notation for morpholin-2-yl 2-methylpent-2-enoate?
The canonical SMILES for morpholin-2-yl 2-methylpent-2-enoate is CCC=C(C)C(=O)OC1CNCCO1.
What is the InChIKey of morpholin-2-yl 2-methylpent-2-enoate?
The InChIKey is IHPLQKQERBMLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-3-4-8(2)10(12)14-9-7-11-5-6-13-9/h4,9,11H,3,5-7H2,1-2H3.
What are the key properties of morpholin-2-yl 2-methylpent-2-enoate?
morpholin-2-yl 2-methylpent-2-enoate has a molecular weight of 199.25 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-2-yl 2-methylpent-2-enoate is sourced from PubChem (CID 174849985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).