4-ethenyl-1,2,3,4-tetrahydronaphthalene-1,3-diol;formamide

C13H17NO3 — CID 19892910

IUPAC4-ethenyl-1,2,3,4-tetrahydronaphthalene-1,3-diol;formamide
SMILESC=CC1c2ccccc2C(O)CC1O.NC=O
InChIInChI=1S/C12H14O2.CH3NO/c1-2-8-9-5-3-4-6-10(9)12(14)7-11(8)13;2-1-3/h2-6,8,11-14H,1,7H2;1H,(H2,2,3)
InChIKeyJFRLZFLDJWKHMW-UHFFFAOYSA-N
MW235.28 g/mol
LogP0.86
Rot. Bonds1

About 4-ethenyl-1,2,3,4-tetrahydronaphthalene-1,3-diol;formamide

4-ethenyl-1,2,3,4-tetrahydronaphthalene-1,3-diol;formamide (PubChem CID 19892910) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 4-ethenyl-1,2,3,4-tetrahydronaphthalene-1,3-diol;formamide.

Molecular Properties

Compound Name4-ethenyl-1,2,3,4-tetrahydronaphthalene-1,3-diol;formamide
PubChem CID19892910
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name4-ethenyl-1,2,3,4-tetrahydronaphthalene-1,3-diol;formamide
SMILESC=CC1c2ccccc2C(O)CC1O.NC=O
InChIInChI=1S/C12H14O2.CH3NO/c1-2-8-9-5-3-4-6-10(9)12(14)7-11(8)13;2-1-3/h2-6,8,11-14H,1,7H2;1H,(H2,2,3)
InChIKeyJFRLZFLDJWKHMW-UHFFFAOYSA-N
XLogP0.86
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1,2,3,4-tetrahydronaphthalene-1,3-diol;formamide?
The IUPAC name of 4-ethenyl-1,2,3,4-tetrahydronaphthalene-1,3-diol;formamide (CID 19892910) is 4-ethenyl-1,2,3,4-tetrahydronaphthalene-1,3-diol;formamide.
What is the SMILES notation for 4-ethenyl-1,2,3,4-tetrahydronaphthalene-1,3-diol;formamide?
The canonical SMILES for 4-ethenyl-1,2,3,4-tetrahydronaphthalene-1,3-diol;formamide is C=CC1c2ccccc2C(O)CC1O.NC=O.
What is the InChIKey of 4-ethenyl-1,2,3,4-tetrahydronaphthalene-1,3-diol;formamide?
The InChIKey is JFRLZFLDJWKHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2.CH3NO/c1-2-8-9-5-3-4-6-10(9)12(14)7-11(8)13;2-1-3/h2-6,8,11-14H,1,7H2;1H,(H2,2,3).
What are the key properties of 4-ethenyl-1,2,3,4-tetrahydronaphthalene-1,3-diol;formamide?
4-ethenyl-1,2,3,4-tetrahydronaphthalene-1,3-diol;formamide has a molecular weight of 235.28 g/mol, XLogP of 0.86, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1,2,3,4-tetrahydronaphthalene-1,3-diol;formamide is sourced from PubChem (CID 19892910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).