(Z)-3-(dimethylamino)-2-(furan-2-carbonyl)prop-2-enenitrile

C10H10N2O2 — CID 45036882

IUPAC(Z)-3-(dimethylamino)-2-(furan-2-carbonyl)prop-2-enenitrile
SMILESCN(C)/C=C(/C#N)C(=O)c1ccco1
InChIInChI=1S/C10H10N2O2/c1-12(2)7-8(6-11)10(13)9-4-3-5-14-9/h3-5,7H,1-2H3/b8-7-
InChIKeyNHZCYLWZVUYWIM-FPLPWBNLSA-N
MW190.20 g/mol
LogP1.43
Rot. Bonds3

About (Z)-3-(dimethylamino)-2-(furan-2-carbonyl)prop-2-enenitrile

(Z)-3-(dimethylamino)-2-(furan-2-carbonyl)prop-2-enenitrile (PubChem CID 45036882) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is (Z)-3-(dimethylamino)-2-(furan-2-carbonyl)prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-(dimethylamino)-2-(furan-2-carbonyl)prop-2-enenitrile
PubChem CID45036882
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name(Z)-3-(dimethylamino)-2-(furan-2-carbonyl)prop-2-enenitrile
SMILESCN(C)/C=C(/C#N)C(=O)c1ccco1
InChIInChI=1S/C10H10N2O2/c1-12(2)7-8(6-11)10(13)9-4-3-5-14-9/h3-5,7H,1-2H3/b8-7-
InChIKeyNHZCYLWZVUYWIM-FPLPWBNLSA-N
XLogP1.43
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.43
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 (Z)-3-(dimethylamino)-2-(furan-2-carbonyl)prop-2-enenitrile?
The IUPAC name of (Z)-3-(dimethylamino)-2-(furan-2-carbonyl)prop-2-enenitrile (CID 45036882) is (Z)-3-(dimethylamino)-2-(furan-2-carbonyl)prop-2-enenitrile.
What is the SMILES notation for (Z)-3-(dimethylamino)-2-(furan-2-carbonyl)prop-2-enenitrile?
The canonical SMILES for (Z)-3-(dimethylamino)-2-(furan-2-carbonyl)prop-2-enenitrile is CN(C)/C=C(/C#N)C(=O)c1ccco1.
What is the InChIKey of (Z)-3-(dimethylamino)-2-(furan-2-carbonyl)prop-2-enenitrile?
The InChIKey is NHZCYLWZVUYWIM-FPLPWBNLSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-12(2)7-8(6-11)10(13)9-4-3-5-14-9/h3-5,7H,1-2H3/b8-7-.
What are the key properties of (Z)-3-(dimethylamino)-2-(furan-2-carbonyl)prop-2-enenitrile?
(Z)-3-(dimethylamino)-2-(furan-2-carbonyl)prop-2-enenitrile has a molecular weight of 190.20 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(dimethylamino)-2-(furan-2-carbonyl)prop-2-enenitrile is sourced from PubChem (CID 45036882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).