methyl (Z)-2-cyano-3-(dimethylamino)-3-(methylamino)prop-2-enoate

C8H13N3O2 — CID 12510909

IUPACmethyl (Z)-2-cyano-3-(dimethylamino)-3-(methylamino)prop-2-enoate
SMILESCN/C(=C(\C#N)C(=O)OC)N(C)C
InChIInChI=1S/C8H13N3O2/c1-10-7(11(2)3)6(5-9)8(12)13-4/h10H,1-4H3/b7-6-
InChIKeyKYZHMDDQPDJMTE-SREVYHEPSA-N
MW183.21 g/mol
LogP-0.32
Rot. Bonds3

About methyl (Z)-2-cyano-3-(dimethylamino)-3-(methylamino)prop-2-enoate

methyl (Z)-2-cyano-3-(dimethylamino)-3-(methylamino)prop-2-enoate (PubChem CID 12510909) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is methyl (Z)-2-cyano-3-(dimethylamino)-3-(methylamino)prop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-cyano-3-(dimethylamino)-3-(methylamino)prop-2-enoate
PubChem CID12510909
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Namemethyl (Z)-2-cyano-3-(dimethylamino)-3-(methylamino)prop-2-enoate
SMILESCN/C(=C(\C#N)C(=O)OC)N(C)C
InChIInChI=1S/C8H13N3O2/c1-10-7(11(2)3)6(5-9)8(12)13-4/h10H,1-4H3/b7-6-
InChIKeyKYZHMDDQPDJMTE-SREVYHEPSA-N
XLogP-0.32
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-cyano-3-(dimethylamino)but-2-enoate
CID 123934872
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methyl 4-amino-2-cyano-3-methylpent-2-enoate
CID 173446909
sodium;hydride;methyl (Z)-2-cyano-4,4,4-trifluoro-3-hydroxybut-2-enoate
CID 173140327
(2E)-4-cyano-5,5-bis(dimethylamino)-3-methoxy-N-methylpenta-2,4-dienamide
CID 134923462
methyl 2-oxopropanoate;hydrate
CID 172759960
sodium (Z)-2-cyano-3-methoxy-1-methylsulfanyl-3-oxoprop-1-ene-1-thiolate
CID 135051095
sodium (Z)-3-cyano-1,1-difluoro-4-methoxy-4-oxobut-2-en-2-olate
CID 55267215
2-[1-(dimethylamino)-1-(methylamino)prop-1-en-2-yl]oxy-1-N,1-N',1-N'-trimethylprop-1-ene-1,1-diamine
CID 175033745
methyl (E)-2-cyano-3-(dimethylamino)prop-2-enoate
CID 2732123
methyl (Z)-2-cyano-3-(dimethylamino)prop-2-enoate
CID 6925004

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-2-cyano-3-(dimethylamino)-3-(methylamino)prop-2-enoate?
The IUPAC name of methyl (Z)-2-cyano-3-(dimethylamino)-3-(methylamino)prop-2-enoate (CID 12510909) is methyl (Z)-2-cyano-3-(dimethylamino)-3-(methylamino)prop-2-enoate.
What is the SMILES notation for methyl (Z)-2-cyano-3-(dimethylamino)-3-(methylamino)prop-2-enoate?
The canonical SMILES for methyl (Z)-2-cyano-3-(dimethylamino)-3-(methylamino)prop-2-enoate is CN/C(=C(\C#N)C(=O)OC)N(C)C.
What is the InChIKey of methyl (Z)-2-cyano-3-(dimethylamino)-3-(methylamino)prop-2-enoate?
The InChIKey is KYZHMDDQPDJMTE-SREVYHEPSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-10-7(11(2)3)6(5-9)8(12)13-4/h10H,1-4H3/b7-6-.
What are the key properties of methyl (Z)-2-cyano-3-(dimethylamino)-3-(methylamino)prop-2-enoate?
methyl (Z)-2-cyano-3-(dimethylamino)-3-(methylamino)prop-2-enoate has a molecular weight of 183.21 g/mol, XLogP of -0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2-cyano-3-(dimethylamino)-3-(methylamino)prop-2-enoate is sourced from PubChem (CID 12510909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).