(Z)-3-chloro-3-(2,4,5-trimethylfuran-3-yl)prop-2-enenitrile

C10H10ClNO — CID 65153255

IUPAC(Z)-3-chloro-3-(2,4,5-trimethylfuran-3-yl)prop-2-enenitrile
SMILESCc1oc(C)c(/C(Cl)=C/C#N)c1C
InChIInChI=1S/C10H10ClNO/c1-6-7(2)13-8(3)10(6)9(11)4-5-12/h4H,1-3H3/b9-4-
InChIKeyFFSZJXREEIZOMS-WTKPLQERSA-N
MW195.65 g/mol
LogP3.31
Rot. Bonds1

About (Z)-3-chloro-3-(2,4,5-trimethylfuran-3-yl)prop-2-enenitrile

(Z)-3-chloro-3-(2,4,5-trimethylfuran-3-yl)prop-2-enenitrile (PubChem CID 65153255) has the molecular formula C10H10ClNO and a molecular weight of 195.65 g/mol. Its IUPAC name is (Z)-3-chloro-3-(2,4,5-trimethylfuran-3-yl)prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-chloro-3-(2,4,5-trimethylfuran-3-yl)prop-2-enenitrile
PubChem CID65153255
Molecular FormulaC10H10ClNO
Molecular Weight195.65 g/mol
Exact Mass195.05
IUPAC Name(Z)-3-chloro-3-(2,4,5-trimethylfuran-3-yl)prop-2-enenitrile
SMILESCc1oc(C)c(/C(Cl)=C/C#N)c1C
InChIInChI=1S/C10H10ClNO/c1-6-7(2)13-8(3)10(6)9(11)4-5-12/h4H,1-3H3/b9-4-
InChIKeyFFSZJXREEIZOMS-WTKPLQERSA-N
XLogP3.31
TPSA36.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-chloro-3-(2,4,5-trimethylfuran-3-yl)prop-2-enenitrile?
The IUPAC name of (Z)-3-chloro-3-(2,4,5-trimethylfuran-3-yl)prop-2-enenitrile (CID 65153255) is (Z)-3-chloro-3-(2,4,5-trimethylfuran-3-yl)prop-2-enenitrile.
What is the SMILES notation for (Z)-3-chloro-3-(2,4,5-trimethylfuran-3-yl)prop-2-enenitrile?
The canonical SMILES for (Z)-3-chloro-3-(2,4,5-trimethylfuran-3-yl)prop-2-enenitrile is Cc1oc(C)c(/C(Cl)=C/C#N)c1C.
What is the InChIKey of (Z)-3-chloro-3-(2,4,5-trimethylfuran-3-yl)prop-2-enenitrile?
The InChIKey is FFSZJXREEIZOMS-WTKPLQERSA-N. The full InChI is InChI=1S/C10H10ClNO/c1-6-7(2)13-8(3)10(6)9(11)4-5-12/h4H,1-3H3/b9-4-.
What are the key properties of (Z)-3-chloro-3-(2,4,5-trimethylfuran-3-yl)prop-2-enenitrile?
(Z)-3-chloro-3-(2,4,5-trimethylfuran-3-yl)prop-2-enenitrile has a molecular weight of 195.65 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-chloro-3-(2,4,5-trimethylfuran-3-yl)prop-2-enenitrile is sourced from PubChem (CID 65153255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).