3-(2-methoxynaphthalen-1-yl)prop-2-enamide

C14H13NO2 — CID 169482467

IUPAC3-(2-methoxynaphthalen-1-yl)prop-2-enamide
SMILESCOc1ccc2ccccc2c1C=CC(N)=O
InChIInChI=1S/C14H13NO2/c1-17-13-8-6-10-4-2-3-5-11(10)12(13)7-9-14(15)16/h2-9H,1H3,(H2,15,16)
InChIKeySPWXKVPYQLPXNW-UHFFFAOYSA-N
MW227.26 g/mol
LogP2.35
Rot. Bonds3

About 3-(2-methoxynaphthalen-1-yl)prop-2-enamide

3-(2-methoxynaphthalen-1-yl)prop-2-enamide (PubChem CID 169482467) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is 3-(2-methoxynaphthalen-1-yl)prop-2-enamide.

Molecular Properties

Compound Name3-(2-methoxynaphthalen-1-yl)prop-2-enamide
PubChem CID169482467
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name3-(2-methoxynaphthalen-1-yl)prop-2-enamide
SMILESCOc1ccc2ccccc2c1C=CC(N)=O
InChIInChI=1S/C14H13NO2/c1-17-13-8-6-10-4-2-3-5-11(10)12(13)7-9-14(15)16/h2-9H,1H3,(H2,15,16)
InChIKeySPWXKVPYQLPXNW-UHFFFAOYSA-N
XLogP2.35
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl (E)-3-(2-methoxynaphthalen-1-yl)prop-2-enoate
CID 24905749
(E)-4-(2-methoxynaphthalen-1-yl)-2-oxobut-3-enoic acid
CID 82161137
(E)-3-(2-methoxynaphthalen-1-yl)-1-phenylprop-2-en-1-one
CID 5351689
(E)-3-(2-prop-2-enoxynaphthalen-1-yl)prop-2-enamide
CID 170876678
(E)-3-(2-methoxynaphthalen-1-yl)-1-thiophen-2-ylprop-2-en-1-one
CID 82185585
2-methoxy-1-[2-[4-[2-(2-methoxynaphthalen-1-yl)ethenyl]phenyl]ethenyl]naphthalene
CID 75293754
(E)-4-(2-methoxynaphthalen-1-yl)but-3-en-2-amine
CID 103091403
methyl (E)-3-(2-propan-2-yloxynaphthalen-1-yl)prop-2-enoate
CID 10635746
N-[(2-methoxynaphthalen-1-yl)methylidene]hydroxylamine
CID 708036
ethyl N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]carbamate
CID 6898993
diethyl (2E)-2-[(2-methoxynaphthalen-1-yl)methylidene]butanedioate
CID 139765807
2-[1-(2-carboxyethenyl)naphthalen-2-yl]oxypropanoic acid
CID 76914309

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxynaphthalen-1-yl)prop-2-enamide?
The IUPAC name of 3-(2-methoxynaphthalen-1-yl)prop-2-enamide (CID 169482467) is 3-(2-methoxynaphthalen-1-yl)prop-2-enamide.
What is the SMILES notation for 3-(2-methoxynaphthalen-1-yl)prop-2-enamide?
The canonical SMILES for 3-(2-methoxynaphthalen-1-yl)prop-2-enamide is COc1ccc2ccccc2c1C=CC(N)=O.
What is the InChIKey of 3-(2-methoxynaphthalen-1-yl)prop-2-enamide?
The InChIKey is SPWXKVPYQLPXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c1-17-13-8-6-10-4-2-3-5-11(10)12(13)7-9-14(15)16/h2-9H,1H3,(H2,15,16).
What are the key properties of 3-(2-methoxynaphthalen-1-yl)prop-2-enamide?
3-(2-methoxynaphthalen-1-yl)prop-2-enamide has a molecular weight of 227.26 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxynaphthalen-1-yl)prop-2-enamide is sourced from PubChem (CID 169482467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).