(E)-3-naphthalen-1-yl-2-phenylprop-2-enenitrile

C19H13N — CID 7372758

IUPAC(E)-3-naphthalen-1-yl-2-phenylprop-2-enenitrile
SMILESN#C/C(=C/c1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C19H13N/c20-14-18(15-7-2-1-3-8-15)13-17-11-6-10-16-9-4-5-12-19(16)17/h1-13H/b18-13-
InChIKeyMFTJHPXAPOUGFQ-AQTBWJFISA-N
MW255.32 g/mol
LogP4.90
Rot. Bonds2

About (E)-3-naphthalen-1-yl-2-phenylprop-2-enenitrile

(E)-3-naphthalen-1-yl-2-phenylprop-2-enenitrile (PubChem CID 7372758) has the molecular formula C19H13N and a molecular weight of 255.32 g/mol. Its IUPAC name is (E)-3-naphthalen-1-yl-2-phenylprop-2-enenitrile.

Molecular Properties

Compound Name(E)-3-naphthalen-1-yl-2-phenylprop-2-enenitrile
PubChem CID7372758
Molecular FormulaC19H13N
Molecular Weight255.32 g/mol
Exact Mass255.10
IUPAC Name(E)-3-naphthalen-1-yl-2-phenylprop-2-enenitrile
SMILESN#C/C(=C/c1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C19H13N/c20-14-18(15-7-2-1-3-8-15)13-17-11-6-10-16-9-4-5-12-19(16)17/h1-13H/b18-13-
InChIKeyMFTJHPXAPOUGFQ-AQTBWJFISA-N
XLogP4.90
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 ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2,6-dichlorophenyl)-3-naphthalen-1-ylprop-2-enenitrile
CID 4600650
(E)-3-[2-(naphthalen-1-ylmethoxy)phenyl]-2-phenylprop-2-enenitrile
CID 126370031
3-naphthalen-1-yl-2-pyridin-2-ylprop-2-enenitrile
CID 2826034
(Z)-3-(2-hydroxyphenyl)-2-phenylprop-2-enenitrile
CID 177424330
(E)-3-(2-iodophenyl)-2-phenylprop-2-enenitrile
CID 126370326
(E)-3-[1-(naphthalen-1-ylmethyl)indol-3-yl]-2-phenylprop-2-enenitrile
CID 126364856
(Z)-3-naphthalen-1-yl-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile
CID 24662512
(E)-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-naphthalen-1-ylprop-2-enenitrile
CID 24582908
2-cyano-3-naphthalen-1-yl-N-phenylprop-2-enamide
CID 685348
1-[(Z)-2-bromobut-1-en-3-ynyl]naphthalene
CID 101059606
1,4-dinaphthalen-1-ylbuta-1,3-diene-2,3-diamine
CID 87961483
1-(2,2-dibromoethenyl)naphthalene
CID 12642645

Frequently Asked Questions

What is the IUPAC name of (E)-3-naphthalen-1-yl-2-phenylprop-2-enenitrile?
The IUPAC name of (E)-3-naphthalen-1-yl-2-phenylprop-2-enenitrile (CID 7372758) is (E)-3-naphthalen-1-yl-2-phenylprop-2-enenitrile.
What is the SMILES notation for (E)-3-naphthalen-1-yl-2-phenylprop-2-enenitrile?
The canonical SMILES for (E)-3-naphthalen-1-yl-2-phenylprop-2-enenitrile is N#C/C(=C/c1cccc2ccccc12)c1ccccc1.
What is the InChIKey of (E)-3-naphthalen-1-yl-2-phenylprop-2-enenitrile?
The InChIKey is MFTJHPXAPOUGFQ-AQTBWJFISA-N. The full InChI is InChI=1S/C19H13N/c20-14-18(15-7-2-1-3-8-15)13-17-11-6-10-16-9-4-5-12-19(16)17/h1-13H/b18-13-.
What are the key properties of (E)-3-naphthalen-1-yl-2-phenylprop-2-enenitrile?
(E)-3-naphthalen-1-yl-2-phenylprop-2-enenitrile has a molecular weight of 255.32 g/mol, XLogP of 4.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-naphthalen-1-yl-2-phenylprop-2-enenitrile is sourced from PubChem (CID 7372758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).