(Z)-3-naphthalen-1-ylbut-2-enal

C14H12O — CID 138583647

IUPAC(Z)-3-naphthalen-1-ylbut-2-enal
SMILESC/C(=C/C=O)c1cccc2ccccc12
InChIInChI=1S/C14H12O/c1-11(9-10-15)13-8-4-6-12-5-2-3-7-14(12)13/h2-10H,1H3/b11-9-
InChIKeyPNGPFNJLWFSCMW-LUAWRHEFSA-N
MW196.25 g/mol
LogP3.44
Rot. Bonds2

About (Z)-3-naphthalen-1-ylbut-2-enal

(Z)-3-naphthalen-1-ylbut-2-enal (PubChem CID 138583647) has the molecular formula C14H12O and a molecular weight of 196.25 g/mol. Its IUPAC name is (Z)-3-naphthalen-1-ylbut-2-enal.

Molecular Properties

Compound Name(Z)-3-naphthalen-1-ylbut-2-enal
PubChem CID138583647
Molecular FormulaC14H12O
Molecular Weight196.25 g/mol
Exact Mass196.09
IUPAC Name(Z)-3-naphthalen-1-ylbut-2-enal
SMILESC/C(=C/C=O)c1cccc2ccccc12
InChIInChI=1S/C14H12O/c1-11(9-10-15)13-8-4-6-12-5-2-3-7-14(12)13/h2-10H,1H3/b11-9-
InChIKeyPNGPFNJLWFSCMW-LUAWRHEFSA-N
XLogP3.44
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(1-bromoprop-1-en-2-yl)naphthalene
CID 158497087
5-hexa-2,4-dien-2-ylbenzo[10]annulene
CID 123186746
2-naphthalen-1-yl-4-oxobut-2-enoic acid
CID 173237233
3-anthracen-9-ylbut-2-enal
CID 174857112
(E)-3-(2-fluorophenyl)but-2-enal
CID 90147584
(Z)-4-naphthalen-1-ylpent-3-en-2-ol
CID 103971171
azane;1-prop-1-en-2-ylnaphthalene
CID 122612227
(E)-3-(2,3-dimethylphenyl)but-2-enal
CID 71623071
triethyl-[(E)-2-naphthalen-1-ylprop-1-enyl]silane
CID 101087823
2-methyl-5-[(2E,4E)-5-naphthalen-1-ylhexa-2,4-dien-2-yl]pyridine
CID 170229762
3-(2-methoxyphenyl)but-2-enal
CID 74217531
1-naphthalen-1-ylethylidenezirconium(2+)
CID 158619381

Frequently Asked Questions

What is the IUPAC name of (Z)-3-naphthalen-1-ylbut-2-enal?
The IUPAC name of (Z)-3-naphthalen-1-ylbut-2-enal (CID 138583647) is (Z)-3-naphthalen-1-ylbut-2-enal.
What is the SMILES notation for (Z)-3-naphthalen-1-ylbut-2-enal?
The canonical SMILES for (Z)-3-naphthalen-1-ylbut-2-enal is C/C(=C/C=O)c1cccc2ccccc12.
What is the InChIKey of (Z)-3-naphthalen-1-ylbut-2-enal?
The InChIKey is PNGPFNJLWFSCMW-LUAWRHEFSA-N. The full InChI is InChI=1S/C14H12O/c1-11(9-10-15)13-8-4-6-12-5-2-3-7-14(12)13/h2-10H,1H3/b11-9-.
What are the key properties of (Z)-3-naphthalen-1-ylbut-2-enal?
(Z)-3-naphthalen-1-ylbut-2-enal has a molecular weight of 196.25 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-naphthalen-1-ylbut-2-enal is sourced from PubChem (CID 138583647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).