(Z)-2-(4-chlorophenyl)-3-(5-pyrrolidin-1-ylfuran-2-yl)prop-2-enenitrile

C17H15ClN2O — CID 1278953

IUPAC(Z)-2-(4-chlorophenyl)-3-(5-pyrrolidin-1-ylfuran-2-yl)prop-2-enenitrile
SMILESN#C/C(=C\c1ccc(N2CCCC2)o1)c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClN2O/c18-15-5-3-13(4-6-15)14(12-19)11-16-7-8-17(21-16)20-9-1-2-10-20/h3-8,11H,1-2,9-10H2/b14-11+
InChIKeyMBSAUGRWRVMPDB-SDNWHVSQSA-N
MW298.77 g/mol
LogP4.60
Rot. Bonds3

About (Z)-2-(4-chlorophenyl)-3-(5-pyrrolidin-1-ylfuran-2-yl)prop-2-enenitrile

(Z)-2-(4-chlorophenyl)-3-(5-pyrrolidin-1-ylfuran-2-yl)prop-2-enenitrile (PubChem CID 1278953) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is (Z)-2-(4-chlorophenyl)-3-(5-pyrrolidin-1-ylfuran-2-yl)prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-(4-chlorophenyl)-3-(5-pyrrolidin-1-ylfuran-2-yl)prop-2-enenitrile
PubChem CID1278953
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name(Z)-2-(4-chlorophenyl)-3-(5-pyrrolidin-1-ylfuran-2-yl)prop-2-enenitrile
SMILESN#C/C(=C\c1ccc(N2CCCC2)o1)c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClN2O/c18-15-5-3-13(4-6-15)14(12-19)11-16-7-8-17(21-16)20-9-1-2-10-20/h3-8,11H,1-2,9-10H2/b14-11+
InChIKeyMBSAUGRWRVMPDB-SDNWHVSQSA-N
XLogP4.60
TPSA40.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_furan_B(2)', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenyl)-3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enenitrile
CID 2867146
(E)-2-(3-nitrophenyl)-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enenitrile
CID 2219169
2-(3-nitrophenyl)-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enenitrile
CID 974329
(Z)-2-(3,4-dimethoxyphenyl)-3-[5-(4-methylpiperazin-1-yl)furan-2-yl]prop-2-enenitrile
CID 11965496
(E)-2-(1H-benzimidazol-2-yl)-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enenitrile
CID 6002782
2-(4-chlorophenyl)-3-[5-(2,5-dichlorophenyl)furan-2-yl]prop-2-enenitrile
CID 5168069
methyl (E)-2-cyano-3-(5-pyrrolidin-1-ylfuran-2-yl)prop-2-enoate
CID 12603300
3-[5-(4-acetylphenyl)furan-2-yl]-2-(4-chlorophenyl)prop-2-enenitrile
CID 2951942
(E)-2-cyano-N-methyl-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enamide
CID 782493
2,3-bis(4-chlorophenyl)prop-2-enenitrile
CID 19419
(E)-2-cyano-N-phenyl-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enamide
CID 31979982
2-[[5-(4-phenylpiperazin-1-yl)furan-2-yl]methylidene]propanedinitrile
CID 71372843

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(4-chlorophenyl)-3-(5-pyrrolidin-1-ylfuran-2-yl)prop-2-enenitrile?
The IUPAC name of (Z)-2-(4-chlorophenyl)-3-(5-pyrrolidin-1-ylfuran-2-yl)prop-2-enenitrile (CID 1278953) is (Z)-2-(4-chlorophenyl)-3-(5-pyrrolidin-1-ylfuran-2-yl)prop-2-enenitrile.
What is the SMILES notation for (Z)-2-(4-chlorophenyl)-3-(5-pyrrolidin-1-ylfuran-2-yl)prop-2-enenitrile?
The canonical SMILES for (Z)-2-(4-chlorophenyl)-3-(5-pyrrolidin-1-ylfuran-2-yl)prop-2-enenitrile is N#C/C(=C\c1ccc(N2CCCC2)o1)c1ccc(Cl)cc1.
What is the InChIKey of (Z)-2-(4-chlorophenyl)-3-(5-pyrrolidin-1-ylfuran-2-yl)prop-2-enenitrile?
The InChIKey is MBSAUGRWRVMPDB-SDNWHVSQSA-N. The full InChI is InChI=1S/C17H15ClN2O/c18-15-5-3-13(4-6-15)14(12-19)11-16-7-8-17(21-16)20-9-1-2-10-20/h3-8,11H,1-2,9-10H2/b14-11+.
What are the key properties of (Z)-2-(4-chlorophenyl)-3-(5-pyrrolidin-1-ylfuran-2-yl)prop-2-enenitrile?
(Z)-2-(4-chlorophenyl)-3-(5-pyrrolidin-1-ylfuran-2-yl)prop-2-enenitrile has a molecular weight of 298.77 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(4-chlorophenyl)-3-(5-pyrrolidin-1-ylfuran-2-yl)prop-2-enenitrile is sourced from PubChem (CID 1278953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).