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

C7H10N2O2 — CID 6925004

IUPACmethyl (Z)-2-cyano-3-(dimethylamino)prop-2-enoate
SMILESCOC(=O)/C(C#N)=C\N(C)C
InChIInChI=1S/C7H10N2O2/c1-9(2)5-6(4-8)7(10)11-3/h5H,1-3H3/b6-5-
InChIKeyHWBIEDPFULRCDP-WAYWQWQTSA-N
MW154.17 g/mol
LogP0.13
Rot. Bonds2

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

methyl (Z)-2-cyano-3-(dimethylamino)prop-2-enoate (PubChem CID 6925004) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is methyl (Z)-2-cyano-3-(dimethylamino)prop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-cyano-3-(dimethylamino)prop-2-enoate
PubChem CID6925004
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Namemethyl (Z)-2-cyano-3-(dimethylamino)prop-2-enoate
SMILESCOC(=O)/C(C#N)=C\N(C)C
InChIInChI=1S/C7H10N2O2/c1-9(2)5-6(4-8)7(10)11-3/h5H,1-3H3/b6-5-
InChIKeyHWBIEDPFULRCDP-WAYWQWQTSA-N
XLogP0.13
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of methyl (Z)-2-cyano-3-(dimethylamino)prop-2-enoate?
The IUPAC name of methyl (Z)-2-cyano-3-(dimethylamino)prop-2-enoate (CID 6925004) is methyl (Z)-2-cyano-3-(dimethylamino)prop-2-enoate.
What is the SMILES notation for methyl (Z)-2-cyano-3-(dimethylamino)prop-2-enoate?
The canonical SMILES for methyl (Z)-2-cyano-3-(dimethylamino)prop-2-enoate is COC(=O)/C(C#N)=C\N(C)C.
What is the InChIKey of methyl (Z)-2-cyano-3-(dimethylamino)prop-2-enoate?
The InChIKey is HWBIEDPFULRCDP-WAYWQWQTSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-9(2)5-6(4-8)7(10)11-3/h5H,1-3H3/b6-5-.
What are the key properties of methyl (Z)-2-cyano-3-(dimethylamino)prop-2-enoate?
methyl (Z)-2-cyano-3-(dimethylamino)prop-2-enoate has a molecular weight of 154.17 g/mol, XLogP of 0.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2-cyano-3-(dimethylamino)prop-2-enoate is sourced from PubChem (CID 6925004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).