2-(furan-2-yl)-2-(4-methoxy-N-prop-2-enylanilino)acetonitrile

C16H16N2O2 — CID 10084391

IUPAC2-(furan-2-yl)-2-(4-methoxy-N-prop-2-enylanilino)acetonitrile
SMILESC=CCN(c1ccc(OC)cc1)C(C#N)c1ccco1
InChIInChI=1S/C16H16N2O2/c1-3-10-18(13-6-8-14(19-2)9-7-13)15(12-17)16-5-4-11-20-16/h3-9,11,15H,1,10H2,2H3
InChIKeyZDUJZJSZUVYITM-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.55
Rot. Bonds6

About 2-(furan-2-yl)-2-(4-methoxy-N-prop-2-enylanilino)acetonitrile

2-(furan-2-yl)-2-(4-methoxy-N-prop-2-enylanilino)acetonitrile (PubChem CID 10084391) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-(furan-2-yl)-2-(4-methoxy-N-prop-2-enylanilino)acetonitrile.

Molecular Properties

Compound Name2-(furan-2-yl)-2-(4-methoxy-N-prop-2-enylanilino)acetonitrile
PubChem CID10084391
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name2-(furan-2-yl)-2-(4-methoxy-N-prop-2-enylanilino)acetonitrile
SMILESC=CCN(c1ccc(OC)cc1)C(C#N)c1ccco1
InChIInChI=1S/C16H16N2O2/c1-3-10-18(13-6-8-14(19-2)9-7-13)15(12-17)16-5-4-11-20-16/h3-9,11,15H,1,10H2,2H3
InChIKeyZDUJZJSZUVYITM-UHFFFAOYSA-N
XLogP3.55
TPSA49.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[bis(prop-2-enyl)amino]-2-(2,5-dimethoxyphenyl)acetonitrile
CID 84757362
2-(N-hydroxy-4-methoxyanilino)-2-(4-methoxyphenyl)acetonitrile
CID 11460297
N-[cyano(furan-2-yl)methyl]-N,3-dimethylbutanamide
CID 13075779
N-[cyano(furan-2-yl)methyl]-N,2,2-trimethylpropanamide
CID 82114356
1-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-N-methylethane-1,2-diamine
CID 61420556
2-(furan-2-yl)pentanenitrile
CID 165359033
2-(N-hydroxyanilino)-2-(4-methoxyphenyl)acetonitrile
CID 101024506
methyl 2-[(N-[(4-bromophenyl)-cyanomethyl]-4-methoxyanilino)methyl]prop-2-enoate
CID 102338081
2-[bis(prop-2-enyl)amino]-2-[4-(diethylamino)phenyl]acetonitrile
CID 84757349
1-methoxy-4-[1-(4-methoxyphenyl)but-3-enyl]benzene
CID 10912530
(1S)-N-[1-(furan-2-yl)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 81371559
1-(furan-2-yl)-N'-[1-(4-methoxyphenyl)ethyl]-N,N-dimethylethane-1,2-diamine
CID 43202375

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-2-(4-methoxy-N-prop-2-enylanilino)acetonitrile?
The IUPAC name of 2-(furan-2-yl)-2-(4-methoxy-N-prop-2-enylanilino)acetonitrile (CID 10084391) is 2-(furan-2-yl)-2-(4-methoxy-N-prop-2-enylanilino)acetonitrile.
What is the SMILES notation for 2-(furan-2-yl)-2-(4-methoxy-N-prop-2-enylanilino)acetonitrile?
The canonical SMILES for 2-(furan-2-yl)-2-(4-methoxy-N-prop-2-enylanilino)acetonitrile is C=CCN(c1ccc(OC)cc1)C(C#N)c1ccco1.
What is the InChIKey of 2-(furan-2-yl)-2-(4-methoxy-N-prop-2-enylanilino)acetonitrile?
The InChIKey is ZDUJZJSZUVYITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-3-10-18(13-6-8-14(19-2)9-7-13)15(12-17)16-5-4-11-20-16/h3-9,11,15H,1,10H2,2H3.
What are the key properties of 2-(furan-2-yl)-2-(4-methoxy-N-prop-2-enylanilino)acetonitrile?
2-(furan-2-yl)-2-(4-methoxy-N-prop-2-enylanilino)acetonitrile has a molecular weight of 268.32 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-2-(4-methoxy-N-prop-2-enylanilino)acetonitrile is sourced from PubChem (CID 10084391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).