(Z)-3-naphthalen-1-yloxy-3-phenylprop-2-enenitrile

C19H13NO — CID 66559661

IUPAC(Z)-3-naphthalen-1-yloxy-3-phenylprop-2-enenitrile
SMILESN#C/C=C(\Oc1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C19H13NO/c20-14-13-18(16-8-2-1-3-9-16)21-19-12-6-10-15-7-4-5-11-17(15)19/h1-13H/b18-13-
InChIKeyMUVJBQDQXFPOKR-AQTBWJFISA-N
MW271.32 g/mol
LogP4.78
Rot. Bonds3

About (Z)-3-naphthalen-1-yloxy-3-phenylprop-2-enenitrile

(Z)-3-naphthalen-1-yloxy-3-phenylprop-2-enenitrile (PubChem CID 66559661) has the molecular formula C19H13NO and a molecular weight of 271.32 g/mol. Its IUPAC name is (Z)-3-naphthalen-1-yloxy-3-phenylprop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-naphthalen-1-yloxy-3-phenylprop-2-enenitrile
PubChem CID66559661
Molecular FormulaC19H13NO
Molecular Weight271.32 g/mol
Exact Mass271.10
IUPAC Name(Z)-3-naphthalen-1-yloxy-3-phenylprop-2-enenitrile
SMILESN#C/C=C(\Oc1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C19H13NO/c20-14-13-18(16-8-2-1-3-9-16)21-19-12-6-10-15-7-4-5-11-17(15)19/h1-13H/b18-13-
InChIKeyMUVJBQDQXFPOKR-AQTBWJFISA-N
XLogP4.78
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Related Compounds

dinaphthalen-1-yloxymethanethione
CID 22635249
4-naphthalen-1-yloxy-3,4-dioxobutanoic acid
CID 54039245
(Z)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-3-ylprop-2-en-1-amine
CID 71178672
2-naphthalen-1-yloxyacetonitrile
CID 4123375
2-(naphthalen-1-yloxycarbonylamino)acetic acid
CID 82294572
naphthalen-1-yl prop-2-enoate
CID 10192638
2-O-naphthalen-1-yl 1-O-phenyl oxalate
CID 57149132
naphthalen-1-yl N-methylcarbamate
CID 23447097
benzene;naphthalen-1-yloxymethanol
CID 70447137
naphthalen-1-yl 3-phenylprop-2-enoate
CID 788595
dinaphthalen-1-yl benzene-1,2-dicarboxylate
CID 14047654
(E)-3-naphthalen-1-yl-2-phenylprop-2-enenitrile
CID 7372758

Frequently Asked Questions

What is the IUPAC name of (Z)-3-naphthalen-1-yloxy-3-phenylprop-2-enenitrile?
The IUPAC name of (Z)-3-naphthalen-1-yloxy-3-phenylprop-2-enenitrile (CID 66559661) is (Z)-3-naphthalen-1-yloxy-3-phenylprop-2-enenitrile.
What is the SMILES notation for (Z)-3-naphthalen-1-yloxy-3-phenylprop-2-enenitrile?
The canonical SMILES for (Z)-3-naphthalen-1-yloxy-3-phenylprop-2-enenitrile is N#C/C=C(\Oc1cccc2ccccc12)c1ccccc1.
What is the InChIKey of (Z)-3-naphthalen-1-yloxy-3-phenylprop-2-enenitrile?
The InChIKey is MUVJBQDQXFPOKR-AQTBWJFISA-N. The full InChI is InChI=1S/C19H13NO/c20-14-13-18(16-8-2-1-3-9-16)21-19-12-6-10-15-7-4-5-11-17(15)19/h1-13H/b18-13-.
What are the key properties of (Z)-3-naphthalen-1-yloxy-3-phenylprop-2-enenitrile?
(Z)-3-naphthalen-1-yloxy-3-phenylprop-2-enenitrile has a molecular weight of 271.32 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-naphthalen-1-yloxy-3-phenylprop-2-enenitrile is sourced from PubChem (CID 66559661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).