ethyl (Z)-2-cyano-3-(1-methylcyclopropyl)prop-2-enoate

C10H13NO2 — CID 68868890

IUPACethyl (Z)-2-cyano-3-(1-methylcyclopropyl)prop-2-enoate
SMILESCCOC(=O)/C(C#N)=C\C1(C)CC1
InChIInChI=1S/C10H13NO2/c1-3-13-9(12)8(7-11)6-10(2)4-5-10/h6H,3-5H2,1-2H3/b8-6-
InChIKeyKUVHKGLXGXVDHG-VURMDHGXSA-N
MW179.22 g/mol
LogP1.80
Rot. Bonds3

About ethyl (Z)-2-cyano-3-(1-methylcyclopropyl)prop-2-enoate

ethyl (Z)-2-cyano-3-(1-methylcyclopropyl)prop-2-enoate (PubChem CID 68868890) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is ethyl (Z)-2-cyano-3-(1-methylcyclopropyl)prop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-2-cyano-3-(1-methylcyclopropyl)prop-2-enoate
PubChem CID68868890
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Nameethyl (Z)-2-cyano-3-(1-methylcyclopropyl)prop-2-enoate
SMILESCCOC(=O)/C(C#N)=C\C1(C)CC1
InChIInChI=1S/C10H13NO2/c1-3-13-9(12)8(7-11)6-10(2)4-5-10/h6H,3-5H2,1-2H3/b8-6-
InChIKeyKUVHKGLXGXVDHG-VURMDHGXSA-N
XLogP1.80
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

ethyl (E)-2-cyano-3-nitroprop-2-enoate
CID 21234990
(2E)-4,4-dimethyl-2-[(1-methylcyclopropyl)methylidene]-3-oxopentanenitrile
CID 131972873
diethyl 2-cyano-4-methylidenepent-2-enedioate
CID 123187028
cis-(1S,3S)-3-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 141188505
(1R)-3-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 68935699
ethyl (E)-2-cyano-3-diethoxyphosphorylprop-2-enoate
CID 5383980
ethyl 2-cyano-3-[(4S)-2,2-dimethyloxan-4-yl]prop-2-enoate
CID 7061468
cis-(1R,2S)-2-(2-cyano-3-ethoxy-3-oxoprop-1-enyl)cyclopropane-1-carboxylic acid
CID 68938411
ethyl (E)-2-cyano-3-cyclopenta-1,3-dien-1-ylprop-2-enoate
CID 153334352
ethyl (E)-2-cyano-3-(dimethylaminomethylideneamino)prop-2-enoate
CID 5285263
ethyl 3-butylsulfanyl-2-cyanoprop-2-enoate
CID 71429427
ethyl (Z)-3-[bis(2-hydroxyethyl)amino]-2-cyanoprop-2-enoate
CID 5357629

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-2-cyano-3-(1-methylcyclopropyl)prop-2-enoate?
The IUPAC name of ethyl (Z)-2-cyano-3-(1-methylcyclopropyl)prop-2-enoate (CID 68868890) is ethyl (Z)-2-cyano-3-(1-methylcyclopropyl)prop-2-enoate.
What is the SMILES notation for ethyl (Z)-2-cyano-3-(1-methylcyclopropyl)prop-2-enoate?
The canonical SMILES for ethyl (Z)-2-cyano-3-(1-methylcyclopropyl)prop-2-enoate is CCOC(=O)/C(C#N)=C\C1(C)CC1.
What is the InChIKey of ethyl (Z)-2-cyano-3-(1-methylcyclopropyl)prop-2-enoate?
The InChIKey is KUVHKGLXGXVDHG-VURMDHGXSA-N. The full InChI is InChI=1S/C10H13NO2/c1-3-13-9(12)8(7-11)6-10(2)4-5-10/h6H,3-5H2,1-2H3/b8-6-.
What are the key properties of ethyl (Z)-2-cyano-3-(1-methylcyclopropyl)prop-2-enoate?
ethyl (Z)-2-cyano-3-(1-methylcyclopropyl)prop-2-enoate has a molecular weight of 179.22 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-2-cyano-3-(1-methylcyclopropyl)prop-2-enoate is sourced from PubChem (CID 68868890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).