3-azulen-1-yl-2-phenylprop-2-enenitrile

C19H13N — CID 141486113

IUPAC3-azulen-1-yl-2-phenylprop-2-enenitrile
SMILESN#CC(=Cc1ccc2cccccc1-2)c1ccccc1
InChIInChI=1S/C19H13N/c20-14-18(15-7-3-1-4-8-15)13-17-12-11-16-9-5-2-6-10-19(16)17/h1-13H
InChIKeyFKLNETGKFIVMNL-UHFFFAOYSA-N
MW255.32 g/mol
LogP4.86
Rot. Bonds2

About 3-azulen-1-yl-2-phenylprop-2-enenitrile

3-azulen-1-yl-2-phenylprop-2-enenitrile (PubChem CID 141486113) has the molecular formula C19H13N and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-azulen-1-yl-2-phenylprop-2-enenitrile.

Molecular Properties

Compound Name3-azulen-1-yl-2-phenylprop-2-enenitrile
PubChem CID141486113
Molecular FormulaC19H13N
Molecular Weight255.32 g/mol
Exact Mass255.10
IUPAC Name3-azulen-1-yl-2-phenylprop-2-enenitrile
SMILESN#CC(=Cc1ccc2cccccc1-2)c1ccccc1
InChIInChI=1S/C19H13N/c20-14-18(15-7-3-1-4-8-15)13-17-12-11-16-9-5-2-6-10-19(16)17/h1-13H
InChIKeyFKLNETGKFIVMNL-UHFFFAOYSA-N
XLogP4.86
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-phenyl-3-(4-phenylphenyl)prop-2-enenitrile
CID 6450896
(Z)-2-[4-[(Z)-1-cyano-2-(4-phenylphenyl)ethenyl]phenyl]-3-(4-phenylphenyl)prop-2-enenitrile
CID 59189377
3-[4-(2-cyano-2-phenylethenyl)-2,5-bis[4-(dimethylamino)phenyl]phenyl]-2-phenylprop-2-enenitrile
CID 91501383
(Z)-3-(2-hydroxyphenyl)-2-phenylprop-2-enenitrile
CID 177424330
(E)-3-(2-iodophenyl)-2-phenylprop-2-enenitrile
CID 126370326
(E)-3-naphthalen-1-yl-2-phenylprop-2-enenitrile
CID 7372758
2-cyano-3-(2-phenylphenyl)prop-2-enethioamide
CID 176980475
(Z)-2,3-bis[4-(1,2,2-triphenylethenyl)phenyl]prop-2-enenitrile
CID 122394128
(Z)-3-[5-(2,3-dichlorophenyl)furan-2-yl]-2-phenylprop-2-enenitrile
CID 726351
(Z)-2-phenyl-3-sulfanylprop-2-enenitrile
CID 134999873
(Z)-3-[2,5-dimethyl-1-(4-phenylphenyl)pyrrol-3-yl]-2-(4-methylphenyl)prop-2-enenitrile
CID 21374782
1-(2-methylprop-1-enyl)-2-phenylbenzene
CID 59340374

Frequently Asked Questions

What is the IUPAC name of 3-azulen-1-yl-2-phenylprop-2-enenitrile?
The IUPAC name of 3-azulen-1-yl-2-phenylprop-2-enenitrile (CID 141486113) is 3-azulen-1-yl-2-phenylprop-2-enenitrile.
What is the SMILES notation for 3-azulen-1-yl-2-phenylprop-2-enenitrile?
The canonical SMILES for 3-azulen-1-yl-2-phenylprop-2-enenitrile is N#CC(=Cc1ccc2cccccc1-2)c1ccccc1.
What is the InChIKey of 3-azulen-1-yl-2-phenylprop-2-enenitrile?
The InChIKey is FKLNETGKFIVMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N/c20-14-18(15-7-3-1-4-8-15)13-17-12-11-16-9-5-2-6-10-19(16)17/h1-13H.
What are the key properties of 3-azulen-1-yl-2-phenylprop-2-enenitrile?
3-azulen-1-yl-2-phenylprop-2-enenitrile has a molecular weight of 255.32 g/mol, XLogP of 4.86, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azulen-1-yl-2-phenylprop-2-enenitrile is sourced from PubChem (CID 141486113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).