[cyano-(6-methoxynaphthalen-2-yl)methyl] 2,2,3,3-tetramethylcyclopropane-1-carboxylate

C21H23NO3 — CID 46229625

IUPAC[cyano-(6-methoxynaphthalen-2-yl)methyl] 2,2,3,3-tetramethylcyclopropane-1-carboxylate
SMILESCOc1ccc2cc(C(C#N)OC(=O)C3C(C)(C)C3(C)C)ccc2c1
InChIInChI=1S/C21H23NO3/c1-20(2)18(21(20,3)4)19(23)25-17(12-22)15-7-6-14-11-16(24-5)9-8-13(14)10-15/h6-11,17-18H,1-5H3
InChIKeyHFKPOCTYSDDQOG-UHFFFAOYSA-N
MW337.42 g/mol
LogP4.64
Rot. Bonds4

About [cyano-(6-methoxynaphthalen-2-yl)methyl] 2,2,3,3-tetramethylcyclopropane-1-carboxylate

[cyano-(6-methoxynaphthalen-2-yl)methyl] 2,2,3,3-tetramethylcyclopropane-1-carboxylate (PubChem CID 46229625) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is [cyano-(6-methoxynaphthalen-2-yl)methyl] 2,2,3,3-tetramethylcyclopropane-1-carboxylate.

Molecular Properties

Compound Name[cyano-(6-methoxynaphthalen-2-yl)methyl] 2,2,3,3-tetramethylcyclopropane-1-carboxylate
PubChem CID46229625
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Name[cyano-(6-methoxynaphthalen-2-yl)methyl] 2,2,3,3-tetramethylcyclopropane-1-carboxylate
SMILESCOc1ccc2cc(C(C#N)OC(=O)C3C(C)(C)C3(C)C)ccc2c1
InChIInChI=1S/C21H23NO3/c1-20(2)18(21(20,3)4)19(23)25-17(12-22)15-7-6-14-11-16(24-5)9-8-13(14)10-15/h6-11,17-18H,1-5H3
InChIKeyHFKPOCTYSDDQOG-UHFFFAOYSA-N
XLogP4.64
TPSA59.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [cyano-(6-methoxynaphthalen-2-yl)methyl] 2,2,3,3-tetramethylcyclopropane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[cyano-(6-methoxynaphthalen-2-yl)methyl] butanoate
CID 70016122
[cyano-[3-(2,3,4,5,6-pentadeuterio(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)oxyphenyl]methyl] 2,2,3,3-tetramethylcyclopropane-1-carboxylate
CID 169440431
(6-methoxynaphthalen-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 66477818
[[3-[(4-chlorophenyl)-difluoromethyl]phenyl]-cyanomethyl] 2,2,3,3-tetramethylcyclopropane-1-carboxylate
CID 13244095
ethyl 2-cyano-2-(6-methoxynaphthalen-2-yl)acetate
CID 135011770
2-bromo-2-(6-methoxynaphthalen-2-yl)acetonitrile
CID 83085596
[cyano-[3-[4-(trifluoromethyl)anilino]phenyl]methyl] 2,2,3,3-tetramethylcyclopropane-1-carboxylate
CID 13106627
[cyano-[3-(4-methylphenoxy)phenyl]methyl] 2-(fluoromethyl)-2,3,3-trimethylcyclopropane-1-carboxylate
CID 13344944
[cyano-(3-phenoxyphenyl)methyl] 2,2,3-trimethyl-3-(trifluoromethyl)cyclopropane-1-carboxylate
CID 12953348
[(3-anilinophenyl)-cyanomethyl] 2,2-dichloro-3,3-dimethylcyclopropane-1-carboxylate
CID 13080308
[[3-(4-chlorophenoxy)phenyl]-cyanomethyl] 2,3-dichloro-2-(difluoromethyl)-3-methylcyclopropane-1-carboxylate
CID 13044707
3-(6-methoxynaphthalen-2-yl)butan-2-one
CID 13292512

Frequently Asked Questions

What is the IUPAC name of [cyano-(6-methoxynaphthalen-2-yl)methyl] 2,2,3,3-tetramethylcyclopropane-1-carboxylate?
The IUPAC name of [cyano-(6-methoxynaphthalen-2-yl)methyl] 2,2,3,3-tetramethylcyclopropane-1-carboxylate (CID 46229625) is [cyano-(6-methoxynaphthalen-2-yl)methyl] 2,2,3,3-tetramethylcyclopropane-1-carboxylate.
What is the SMILES notation for [cyano-(6-methoxynaphthalen-2-yl)methyl] 2,2,3,3-tetramethylcyclopropane-1-carboxylate?
The canonical SMILES for [cyano-(6-methoxynaphthalen-2-yl)methyl] 2,2,3,3-tetramethylcyclopropane-1-carboxylate is COc1ccc2cc(C(C#N)OC(=O)C3C(C)(C)C3(C)C)ccc2c1.
What is the InChIKey of [cyano-(6-methoxynaphthalen-2-yl)methyl] 2,2,3,3-tetramethylcyclopropane-1-carboxylate?
The InChIKey is HFKPOCTYSDDQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3/c1-20(2)18(21(20,3)4)19(23)25-17(12-22)15-7-6-14-11-16(24-5)9-8-13(14)10-15/h6-11,17-18H,1-5H3.
What are the key properties of [cyano-(6-methoxynaphthalen-2-yl)methyl] 2,2,3,3-tetramethylcyclopropane-1-carboxylate?
[cyano-(6-methoxynaphthalen-2-yl)methyl] 2,2,3,3-tetramethylcyclopropane-1-carboxylate has a molecular weight of 337.42 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [cyano-(6-methoxynaphthalen-2-yl)methyl] 2,2,3,3-tetramethylcyclopropane-1-carboxylate is sourced from PubChem (CID 46229625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).