methyl (Z)-4,4-dimethoxy-3-pyrrolidin-1-ylbut-2-enoate

C11H19NO4 — CID 24976325

IUPACmethyl (Z)-4,4-dimethoxy-3-pyrrolidin-1-ylbut-2-enoate
SMILESCOC(=O)/C=C(/C(OC)OC)N1CCCC1
InChIInChI=1S/C11H19NO4/c1-14-10(13)8-9(11(15-2)16-3)12-6-4-5-7-12/h8,11H,4-7H2,1-3H3/b9-8-
InChIKeyZIDNMKMGRVRDSN-HJWRWDBZSA-N
MW229.28 g/mol
LogP0.76
Rot. Bonds5

About methyl (Z)-4,4-dimethoxy-3-pyrrolidin-1-ylbut-2-enoate

methyl (Z)-4,4-dimethoxy-3-pyrrolidin-1-ylbut-2-enoate (PubChem CID 24976325) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is methyl (Z)-4,4-dimethoxy-3-pyrrolidin-1-ylbut-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-4,4-dimethoxy-3-pyrrolidin-1-ylbut-2-enoate
PubChem CID24976325
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Namemethyl (Z)-4,4-dimethoxy-3-pyrrolidin-1-ylbut-2-enoate
SMILESCOC(=O)/C=C(/C(OC)OC)N1CCCC1
InChIInChI=1S/C11H19NO4/c1-14-10(13)8-9(11(15-2)16-3)12-6-4-5-7-12/h8,11H,4-7H2,1-3H3/b9-8-
InChIKeyZIDNMKMGRVRDSN-HJWRWDBZSA-N
XLogP0.76
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Ethyl 3-(1-pyrrolidinyl)-2-butenoate
CID 586690
Ethyl (2E)-3-(1-pyrrolidinyl)-2-butenoate
CID 736203
Ethyl 3-pyrrolidinocrotonate
CID 736204
4-(Pyrrolidin-1-yl)furan-2(5H)-one
CID 13402454
ethyl (E)-4-[(2-methylpropan-2-yl)oxy]-3-pyrrolidin-1-ylbut-2-enoate
CID 134890938
3-(diethylamino)-2-methoxy-2H-furan-5-one
CID 357174
2-methoxy-3-pyrrolidin-1-yl-2H-furan-5-one
CID 13075211
acetic acid;3-pyrrolidin-1-yl-2H-furan-5-one
CID 162319860
methyl (E)-4,4-dimethoxy-3-pyrrolidin-1-ylbut-2-enoate
CID 10878940
methyl (E)-4-(3-methylbut-2-enoxy)-3-pyrrolidin-1-ylbut-2-enoate
CID 11288245
ethyl (E)-4-(oxan-2-yloxy)-3-pyrrolidin-1-ylbut-2-enoate
CID 11832927
Ethyl 4-(oxan-2-yloxy)-3-pyrrolidin-1-ylbut-2-enoate
CID 57360787

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-4,4-dimethoxy-3-pyrrolidin-1-ylbut-2-enoate?
The IUPAC name of methyl (Z)-4,4-dimethoxy-3-pyrrolidin-1-ylbut-2-enoate (CID 24976325) is methyl (Z)-4,4-dimethoxy-3-pyrrolidin-1-ylbut-2-enoate.
What is the SMILES notation for methyl (Z)-4,4-dimethoxy-3-pyrrolidin-1-ylbut-2-enoate?
The canonical SMILES for methyl (Z)-4,4-dimethoxy-3-pyrrolidin-1-ylbut-2-enoate is COC(=O)/C=C(/C(OC)OC)N1CCCC1.
What is the InChIKey of methyl (Z)-4,4-dimethoxy-3-pyrrolidin-1-ylbut-2-enoate?
The InChIKey is ZIDNMKMGRVRDSN-HJWRWDBZSA-N. The full InChI is InChI=1S/C11H19NO4/c1-14-10(13)8-9(11(15-2)16-3)12-6-4-5-7-12/h8,11H,4-7H2,1-3H3/b9-8-.
What are the key properties of methyl (Z)-4,4-dimethoxy-3-pyrrolidin-1-ylbut-2-enoate?
methyl (Z)-4,4-dimethoxy-3-pyrrolidin-1-ylbut-2-enoate has a molecular weight of 229.28 g/mol, XLogP of 0.76, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-4,4-dimethoxy-3-pyrrolidin-1-ylbut-2-enoate is sourced from PubChem (CID 24976325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).