(Z)-3-amino-2-(furan-2-carbonyl)but-2-enenitrile

C9H8N2O2 — CID 11332786

IUPAC(Z)-3-amino-2-(furan-2-carbonyl)but-2-enenitrile
SMILESC/C(N)=C(\C#N)C(=O)c1ccco1
InChIInChI=1S/C9H8N2O2/c1-6(11)7(5-10)9(12)8-3-2-4-13-8/h2-4H,11H2,1H3/b7-6-
InChIKeyJKVKHVURRJNBHR-SREVYHEPSA-N
MW176.17 g/mol
LogP1.22
Rot. Bonds2

About (Z)-3-amino-2-(furan-2-carbonyl)but-2-enenitrile

(Z)-3-amino-2-(furan-2-carbonyl)but-2-enenitrile (PubChem CID 11332786) has the molecular formula C9H8N2O2 and a molecular weight of 176.17 g/mol. Its IUPAC name is (Z)-3-amino-2-(furan-2-carbonyl)but-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-amino-2-(furan-2-carbonyl)but-2-enenitrile
PubChem CID11332786
Molecular FormulaC9H8N2O2
Molecular Weight176.17 g/mol
Exact Mass176.06
IUPAC Name(Z)-3-amino-2-(furan-2-carbonyl)but-2-enenitrile
SMILESC/C(N)=C(\C#N)C(=O)c1ccco1
InChIInChI=1S/C9H8N2O2/c1-6(11)7(5-10)9(12)8-3-2-4-13-8/h2-4H,11H2,1H3/b7-6-
InChIKeyJKVKHVURRJNBHR-SREVYHEPSA-N
XLogP1.22
TPSA80.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 51.22
H-Bond Donors ≤ 51
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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Related Compounds

2-(furan-2-yl)-2-oxoacetamide;2-(furan-2-yl)-2-oxoacetic acid
CID 159366608
ethyl (E)-3-(2-carbamothioylhydrazinyl)-2-cyano-3-(furan-2-yl)prop-2-enoate
CID 134934650
(Z)-3-amino-N-benzyl-2-cyanobut-2-enamide
CID 91998931
N-[4-[(E)-2-cyano-3-(furan-2-yl)-3-oxoprop-1-enyl]phenyl]acetamide
CID 9335339
furan-2-carboxamide;molecular hydrogen
CID 145259960
furan-2-carboxylic acid;methanamine
CID 82372767
2-(furan-2-yl)-2-oxoethanethioic S-acid
CID 171037460
(2E)-1,2-bis(furan-2-yl)-2-hydroxyiminoethanone
CID 6401304
[(E)-[1-(furan-2-yl)-1-oxopropan-2-ylidene]amino] benzoate
CID 6160023
(E)-3-(3,4-dimethoxyphenyl)-2-(furan-2-carbonyl)prop-2-enenitrile
CID 9335407
3-amino-3-(furan-2-yl)prop-2-enenitrile
CID 69283548
2-cyano-N-[1-(furan-2-yl)ethylideneamino]acetamide
CID 2848867

Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-2-(furan-2-carbonyl)but-2-enenitrile?
The IUPAC name of (Z)-3-amino-2-(furan-2-carbonyl)but-2-enenitrile (CID 11332786) is (Z)-3-amino-2-(furan-2-carbonyl)but-2-enenitrile.
What is the SMILES notation for (Z)-3-amino-2-(furan-2-carbonyl)but-2-enenitrile?
The canonical SMILES for (Z)-3-amino-2-(furan-2-carbonyl)but-2-enenitrile is C/C(N)=C(\C#N)C(=O)c1ccco1.
What is the InChIKey of (Z)-3-amino-2-(furan-2-carbonyl)but-2-enenitrile?
The InChIKey is JKVKHVURRJNBHR-SREVYHEPSA-N. The full InChI is InChI=1S/C9H8N2O2/c1-6(11)7(5-10)9(12)8-3-2-4-13-8/h2-4H,11H2,1H3/b7-6-.
What are the key properties of (Z)-3-amino-2-(furan-2-carbonyl)but-2-enenitrile?
(Z)-3-amino-2-(furan-2-carbonyl)but-2-enenitrile has a molecular weight of 176.17 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-2-(furan-2-carbonyl)but-2-enenitrile is sourced from PubChem (CID 11332786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).