N-[1-(3,4-dihydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethenyl]formamide

C13H15NO3 — CID 54228280

IUPACN-[1-(3,4-dihydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethenyl]formamide
SMILESC=C(NC=O)C1CC(O)C(O)c2ccccc21
InChIInChI=1S/C13H15NO3/c1-8(14-7-15)11-6-12(16)13(17)10-5-3-2-4-9(10)11/h2-5,7,11-13,16-17H,1,6H2,(H,14,15)
InChIKeyQHKBYRFINSYDBM-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.83
Rot. Bonds3

About N-[1-(3,4-dihydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethenyl]formamide

N-[1-(3,4-dihydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethenyl]formamide (PubChem CID 54228280) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is N-[1-(3,4-dihydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethenyl]formamide.

Molecular Properties

Compound NameN-[1-(3,4-dihydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethenyl]formamide
PubChem CID54228280
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC NameN-[1-(3,4-dihydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethenyl]formamide
SMILESC=C(NC=O)C1CC(O)C(O)c2ccccc21
InChIInChI=1S/C13H15NO3/c1-8(14-7-15)11-6-12(16)13(17)10-5-3-2-4-9(10)11/h2-5,7,11-13,16-17H,1,6H2,(H,14,15)
InChIKeyQHKBYRFINSYDBM-UHFFFAOYSA-N
XLogP0.83
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dihydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethenyl]formamide?
The IUPAC name of N-[1-(3,4-dihydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethenyl]formamide (CID 54228280) is N-[1-(3,4-dihydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethenyl]formamide.
What is the SMILES notation for N-[1-(3,4-dihydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethenyl]formamide?
The canonical SMILES for N-[1-(3,4-dihydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethenyl]formamide is C=C(NC=O)C1CC(O)C(O)c2ccccc21.
What is the InChIKey of N-[1-(3,4-dihydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethenyl]formamide?
The InChIKey is QHKBYRFINSYDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-8(14-7-15)11-6-12(16)13(17)10-5-3-2-4-9(10)11/h2-5,7,11-13,16-17H,1,6H2,(H,14,15).
What are the key properties of N-[1-(3,4-dihydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethenyl]formamide?
N-[1-(3,4-dihydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethenyl]formamide has a molecular weight of 233.27 g/mol, XLogP of 0.83, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dihydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethenyl]formamide is sourced from PubChem (CID 54228280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).