N-(5-formyl-6-hydroxynaphthalen-1-yl)-2-methylprop-2-enamide

C15H13NO3 — CID 163702542

IUPACN-(5-formyl-6-hydroxynaphthalen-1-yl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)Nc1cccc2c(C=O)c(O)ccc12
InChIInChI=1S/C15H13NO3/c1-9(2)15(19)16-13-5-3-4-10-11(13)6-7-14(18)12(10)8-17/h3-8,18H,1H2,2H3,(H,16,19)
InChIKeyKCHBHKCUCQAJRM-UHFFFAOYSA-N
MW255.27 g/mol
LogP2.87
Rot. Bonds3

About N-(5-formyl-6-hydroxynaphthalen-1-yl)-2-methylprop-2-enamide

N-(5-formyl-6-hydroxynaphthalen-1-yl)-2-methylprop-2-enamide (PubChem CID 163702542) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is N-(5-formyl-6-hydroxynaphthalen-1-yl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-(5-formyl-6-hydroxynaphthalen-1-yl)-2-methylprop-2-enamide
PubChem CID163702542
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC NameN-(5-formyl-6-hydroxynaphthalen-1-yl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)Nc1cccc2c(C=O)c(O)ccc12
InChIInChI=1S/C15H13NO3/c1-9(2)15(19)16-13-5-3-4-10-11(13)6-7-14(18)12(10)8-17/h3-8,18H,1H2,2H3,(H,16,19)
InChIKeyKCHBHKCUCQAJRM-UHFFFAOYSA-N
XLogP2.87
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N-(5,8-dihydroxynaphthalen-1-yl)-2-methylprop-2-enamide;yttrium
CID 59524620
[5-(2-methylprop-2-enoylamino)naphthalen-1-yl]azanium
CID 140585854
N-(2-formylphenyl)-2-methylprop-2-enamide
CID 154120209
5-aminonaphthalen-1-ol;[5-(2-methylprop-2-enoylamino)naphthalen-1-yl] 2-methylprop-2-enoate
CID 161447927
N-(7-hydroxynaphthalen-1-yl)-2-methylprop-2-enamide;yttrium
CID 59524572
N-(3-acetamido-2-formylphenyl)acetamide
CID 54088843
N'-(5-hydroxynaphthalen-1-yl)-N-(2-hydroxyphenyl)oxamide
CID 108509252
(2-formyl-3-hydroxyphenyl)carbamic acid
CID 90457629
N-(2-ethylphenyl)-2-methylprop-2-enamide
CID 54544779
N-(5-hydroxynaphthalen-1-yl)prop-2-enamide
CID 43700254
2,6-dihydroxybenzaldehyde;formaldehyde
CID 158378810
N-(3-acetylphenyl)-N'-(5-hydroxynaphthalen-1-yl)oxamide
CID 108509256

Frequently Asked Questions

What is the IUPAC name of N-(5-formyl-6-hydroxynaphthalen-1-yl)-2-methylprop-2-enamide?
The IUPAC name of N-(5-formyl-6-hydroxynaphthalen-1-yl)-2-methylprop-2-enamide (CID 163702542) is N-(5-formyl-6-hydroxynaphthalen-1-yl)-2-methylprop-2-enamide.
What is the SMILES notation for N-(5-formyl-6-hydroxynaphthalen-1-yl)-2-methylprop-2-enamide?
The canonical SMILES for N-(5-formyl-6-hydroxynaphthalen-1-yl)-2-methylprop-2-enamide is C=C(C)C(=O)Nc1cccc2c(C=O)c(O)ccc12.
What is the InChIKey of N-(5-formyl-6-hydroxynaphthalen-1-yl)-2-methylprop-2-enamide?
The InChIKey is KCHBHKCUCQAJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c1-9(2)15(19)16-13-5-3-4-10-11(13)6-7-14(18)12(10)8-17/h3-8,18H,1H2,2H3,(H,16,19).
What are the key properties of N-(5-formyl-6-hydroxynaphthalen-1-yl)-2-methylprop-2-enamide?
N-(5-formyl-6-hydroxynaphthalen-1-yl)-2-methylprop-2-enamide has a molecular weight of 255.27 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-formyl-6-hydroxynaphthalen-1-yl)-2-methylprop-2-enamide is sourced from PubChem (CID 163702542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).