(E)-3-(2-hydroxynaphthalen-1-yl)-2-methylprop-2-enamide

C14H13NO2 — CID 142635275

IUPAC(E)-3-(2-hydroxynaphthalen-1-yl)-2-methylprop-2-enamide
SMILESC/C(=C\c1c(O)ccc2ccccc12)C(N)=O
InChIInChI=1S/C14H13NO2/c1-9(14(15)17)8-12-11-5-3-2-4-10(11)6-7-13(12)16/h2-8,16H,1H3,(H2,15,17)/b9-8+
InChIKeyUYSNTIMMVVYVLS-CMDGGOBGSA-N
MW227.26 g/mol
LogP2.43
Rot. Bonds2

About (E)-3-(2-hydroxynaphthalen-1-yl)-2-methylprop-2-enamide

(E)-3-(2-hydroxynaphthalen-1-yl)-2-methylprop-2-enamide (PubChem CID 142635275) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is (E)-3-(2-hydroxynaphthalen-1-yl)-2-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-hydroxynaphthalen-1-yl)-2-methylprop-2-enamide
PubChem CID142635275
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name(E)-3-(2-hydroxynaphthalen-1-yl)-2-methylprop-2-enamide
SMILESC/C(=C\c1c(O)ccc2ccccc12)C(N)=O
InChIInChI=1S/C14H13NO2/c1-9(14(15)17)8-12-11-5-3-2-4-10(11)6-7-13(12)16/h2-8,16H,1H3,(H2,15,17)/b9-8+
InChIKeyUYSNTIMMVVYVLS-CMDGGOBGSA-N
XLogP2.43
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl (E)-3-(2-hydroxynaphthalen-1-yl)-2-methylprop-2-enoate
CID 134891901
1-(2,2-dibromoethenyl)naphthalen-2-ol
CID 25096638
(E)-4-(2-hydroxynaphthalen-1-yl)but-3-en-2-one
CID 14509487
propan-2-yl (2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]-3-oxobutanoate
CID 2311731
N'-[(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide
CID 2643236
(E)-2-methyl-3-(2-methylnaphthalen-1-yl)prop-2-enoic acid
CID 170873203
(E)-1-(2-methylnaphthalen-1-yl)prop-1-en-2-amine
CID 155088802
2-methyl-4-naphthalen-1-ylbut-2-enamide
CID 67637200
methyl (E)-2-benzamido-3-(2-hydroxynaphthalen-1-yl)prop-2-enoate
CID 10315660
methyl (2S)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]propanoate
CID 135855183
1-[(E)-hydroxyiminomethyl]naphthalen-2-ol
CID 135400485
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide
CID 172961658

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-hydroxynaphthalen-1-yl)-2-methylprop-2-enamide?
The IUPAC name of (E)-3-(2-hydroxynaphthalen-1-yl)-2-methylprop-2-enamide (CID 142635275) is (E)-3-(2-hydroxynaphthalen-1-yl)-2-methylprop-2-enamide.
What is the SMILES notation for (E)-3-(2-hydroxynaphthalen-1-yl)-2-methylprop-2-enamide?
The canonical SMILES for (E)-3-(2-hydroxynaphthalen-1-yl)-2-methylprop-2-enamide is C/C(=C\c1c(O)ccc2ccccc12)C(N)=O.
What is the InChIKey of (E)-3-(2-hydroxynaphthalen-1-yl)-2-methylprop-2-enamide?
The InChIKey is UYSNTIMMVVYVLS-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H13NO2/c1-9(14(15)17)8-12-11-5-3-2-4-10(11)6-7-13(12)16/h2-8,16H,1H3,(H2,15,17)/b9-8+.
What are the key properties of (E)-3-(2-hydroxynaphthalen-1-yl)-2-methylprop-2-enamide?
(E)-3-(2-hydroxynaphthalen-1-yl)-2-methylprop-2-enamide has a molecular weight of 227.26 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-hydroxynaphthalen-1-yl)-2-methylprop-2-enamide is sourced from PubChem (CID 142635275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).