2-ethenyl-3-[(Z)-prop-1-enyl]naphthalene-1,4-dicarbonitrile

C17H12N2 — CID 145213372

IUPAC2-ethenyl-3-[(Z)-prop-1-enyl]naphthalene-1,4-dicarbonitrile
SMILESC=Cc1c(/C=C\C)c(C#N)c2ccccc2c1C#N
InChIInChI=1S/C17H12N2/c1-3-7-13-12(4-2)16(10-18)14-8-5-6-9-15(14)17(13)11-19/h3-9H,2H2,1H3/b7-3-
InChIKeyLPSYLPITRIYMJN-CLTKARDFSA-N
MW244.30 g/mol
LogP4.26
Rot. Bonds2

About 2-ethenyl-3-[(Z)-prop-1-enyl]naphthalene-1,4-dicarbonitrile

2-ethenyl-3-[(Z)-prop-1-enyl]naphthalene-1,4-dicarbonitrile (PubChem CID 145213372) has the molecular formula C17H12N2 and a molecular weight of 244.30 g/mol. Its IUPAC name is 2-ethenyl-3-[(Z)-prop-1-enyl]naphthalene-1,4-dicarbonitrile.

Molecular Properties

Compound Name2-ethenyl-3-[(Z)-prop-1-enyl]naphthalene-1,4-dicarbonitrile
PubChem CID145213372
Molecular FormulaC17H12N2
Molecular Weight244.30 g/mol
Exact Mass244.10
IUPAC Name2-ethenyl-3-[(Z)-prop-1-enyl]naphthalene-1,4-dicarbonitrile
SMILESC=Cc1c(/C=C\C)c(C#N)c2ccccc2c1C#N
InChIInChI=1S/C17H12N2/c1-3-7-13-12(4-2)16(10-18)14-8-5-6-9-15(14)17(13)11-19/h3-9H,2H2,1H3/b7-3-
InChIKeyLPSYLPITRIYMJN-CLTKARDFSA-N
XLogP4.26
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-bis(ethenyl)-6-methylnaphthalene-1,4-dicarbonitrile
CID 142090428
1,4-dibromo-2-ethenyl-3-prop-1-enylnaphthalene
CID 123587907
2,4,5-tri(carbazol-9-yl)-6-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]benzene-1,3-dicarbonitrile
CID 131993006
2-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]benzene-1,3-dicarbonitrile
CID 135160706
9-ethenyl-1-methyl-10-[(Z)-prop-1-enyl]phenanthrene
CID 153357607
ethane;6-ethenyl-5-[(Z)-prop-1-enyl]benzo[f]quinoxaline
CID 145189562
5-ethenyl-3-fluoro-2-methyl-6-[(Z)-prop-1-enyl]benzonitrile
CID 156651034
5-ethenyl-6-[(Z)-prop-1-enyl]benzo[h]isoquinoline
CID 130291492
10-methylanthracene-9-carbonitrile
CID 12617916
10-prop-2-enylanthracene-9-carbonitrile
CID 13497522
2,5-di(carbazol-9-yl)-3-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]-6-(12-phenylindolo[3,2-c]carbazol-5-yl)benzene-1,4-dicarbonitrile
CID 166856371
3-ethenyl-4-[(Z)-prop-1-enyl]-1H-1-benzazepine-2,5-dione
CID 143318864

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-3-[(Z)-prop-1-enyl]naphthalene-1,4-dicarbonitrile?
The IUPAC name of 2-ethenyl-3-[(Z)-prop-1-enyl]naphthalene-1,4-dicarbonitrile (CID 145213372) is 2-ethenyl-3-[(Z)-prop-1-enyl]naphthalene-1,4-dicarbonitrile.
What is the SMILES notation for 2-ethenyl-3-[(Z)-prop-1-enyl]naphthalene-1,4-dicarbonitrile?
The canonical SMILES for 2-ethenyl-3-[(Z)-prop-1-enyl]naphthalene-1,4-dicarbonitrile is C=Cc1c(/C=C\C)c(C#N)c2ccccc2c1C#N.
What is the InChIKey of 2-ethenyl-3-[(Z)-prop-1-enyl]naphthalene-1,4-dicarbonitrile?
The InChIKey is LPSYLPITRIYMJN-CLTKARDFSA-N. The full InChI is InChI=1S/C17H12N2/c1-3-7-13-12(4-2)16(10-18)14-8-5-6-9-15(14)17(13)11-19/h3-9H,2H2,1H3/b7-3-.
What are the key properties of 2-ethenyl-3-[(Z)-prop-1-enyl]naphthalene-1,4-dicarbonitrile?
2-ethenyl-3-[(Z)-prop-1-enyl]naphthalene-1,4-dicarbonitrile has a molecular weight of 244.30 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-3-[(Z)-prop-1-enyl]naphthalene-1,4-dicarbonitrile is sourced from PubChem (CID 145213372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).