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

C17H16N2O — CID 1142312

IUPAC(Z)-2-phenyl-3-(5-pyrrolidin-1-ylfuran-2-yl)prop-2-enenitrile
SMILESN#C/C(=C\c1ccc(N2CCCC2)o1)c1ccccc1
InChIInChI=1S/C17H16N2O/c18-13-15(14-6-2-1-3-7-14)12-16-8-9-17(20-16)19-10-4-5-11-19/h1-3,6-9,12H,4-5,10-11H2/b15-12+
InChIKeyKDPGSRUAJCDRCJ-NTCAYCPXSA-N
MW264.33 g/mol
LogP3.94
Rot. Bonds3

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

(Z)-2-phenyl-3-(5-pyrrolidin-1-ylfuran-2-yl)prop-2-enenitrile (PubChem CID 1142312) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is (Z)-2-phenyl-3-(5-pyrrolidin-1-ylfuran-2-yl)prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-phenyl-3-(5-pyrrolidin-1-ylfuran-2-yl)prop-2-enenitrile
PubChem CID1142312
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name(Z)-2-phenyl-3-(5-pyrrolidin-1-ylfuran-2-yl)prop-2-enenitrile
SMILESN#C/C(=C\c1ccc(N2CCCC2)o1)c1ccccc1
InChIInChI=1S/C17H16N2O/c18-13-15(14-6-2-1-3-7-14)12-16-8-9-17(20-16)19-10-4-5-11-19/h1-3,6-9,12H,4-5,10-11H2/b15-12+
InChIKeyKDPGSRUAJCDRCJ-NTCAYCPXSA-N
XLogP3.94
TPSA40.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.94
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

3-[5-(1-Azepanyl)-2-furyl]-2-(4-chlorophenyl)acrylonitrile
CID 2201553
(E)-1-(2,3-dihydroindol-1-yl)-3-(5-methylfuran-2-yl)prop-2-en-1-one
CID 896982
(E)-3-(5-Morpholin-4-yl-furan-2-yl)-2-p-tolyl-acrylonitrile
CID 2301821
(Z)-3-(5-Morpholin-4-yl-furan-2-yl)-2-phenyl-acrylonitrile
CID 802293
(2Z)-N-benzyl-2-cyano-3-[5-(dimethylamino)furan-2-yl]prop-2-enamide
CID 921800
(Z)-N-benzyl-2-cyano-3-[5-(diethylamino)furan-2-yl]prop-2-enamide
CID 929467
2-(4-Chloro-phenyl)-3-(5-morpholin-4-yl-furan-2-yl)-acrylonitrile
CID 1918048
(E)-2-cyano-3-(5-morpholin-4-ylfuran-2-yl)-N-(2-phenylethyl)prop-2-enamide
CID 1971752
(E)-3-[5-(azepan-1-yl)furan-2-yl]-2-(3-fluorophenyl)prop-2-enenitrile
CID 2227134
2-(3-Fluorophenyl)-3-[5-(1-piperidinyl)-2-furyl]acrylonitrile
CID 2228772
N-(furan-2-yl)-N-(1-phenylbut-3-enyl)acetamide
CID 3147167
(E)-2-cyano-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enamide
CID 798024

Frequently Asked Questions

What is the IUPAC name of (Z)-2-phenyl-3-(5-pyrrolidin-1-ylfuran-2-yl)prop-2-enenitrile?
The IUPAC name of (Z)-2-phenyl-3-(5-pyrrolidin-1-ylfuran-2-yl)prop-2-enenitrile (CID 1142312) is (Z)-2-phenyl-3-(5-pyrrolidin-1-ylfuran-2-yl)prop-2-enenitrile.
What is the SMILES notation for (Z)-2-phenyl-3-(5-pyrrolidin-1-ylfuran-2-yl)prop-2-enenitrile?
The canonical SMILES for (Z)-2-phenyl-3-(5-pyrrolidin-1-ylfuran-2-yl)prop-2-enenitrile is N#C/C(=C\c1ccc(N2CCCC2)o1)c1ccccc1.
What is the InChIKey of (Z)-2-phenyl-3-(5-pyrrolidin-1-ylfuran-2-yl)prop-2-enenitrile?
The InChIKey is KDPGSRUAJCDRCJ-NTCAYCPXSA-N. The full InChI is InChI=1S/C17H16N2O/c18-13-15(14-6-2-1-3-7-14)12-16-8-9-17(20-16)19-10-4-5-11-19/h1-3,6-9,12H,4-5,10-11H2/b15-12+.
What are the key properties of (Z)-2-phenyl-3-(5-pyrrolidin-1-ylfuran-2-yl)prop-2-enenitrile?
(Z)-2-phenyl-3-(5-pyrrolidin-1-ylfuran-2-yl)prop-2-enenitrile has a molecular weight of 264.33 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-phenyl-3-(5-pyrrolidin-1-ylfuran-2-yl)prop-2-enenitrile is sourced from PubChem (CID 1142312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).