methyl (Z)-3-methoxy-2-(2-naphthalen-2-ylcyclopropyl)prop-2-enoate

C18H18O3 — CID 20832387

IUPACmethyl (Z)-3-methoxy-2-(2-naphthalen-2-ylcyclopropyl)prop-2-enoate
SMILESCO/C=C(\C(=O)OC)C1CC1c1ccc2ccccc2c1
InChIInChI=1S/C18H18O3/c1-20-11-17(18(19)21-2)16-10-15(16)14-8-7-12-5-3-4-6-13(12)9-14/h3-9,11,15-16H,10H2,1-2H3/b17-11-
InChIKeyUELLOFPYXSLCBP-BOPFTXTBSA-N
MW282.34 g/mol
LogP3.65
Rot. Bonds4

About methyl (Z)-3-methoxy-2-(2-naphthalen-2-ylcyclopropyl)prop-2-enoate

methyl (Z)-3-methoxy-2-(2-naphthalen-2-ylcyclopropyl)prop-2-enoate (PubChem CID 20832387) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is methyl (Z)-3-methoxy-2-(2-naphthalen-2-ylcyclopropyl)prop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-3-methoxy-2-(2-naphthalen-2-ylcyclopropyl)prop-2-enoate
PubChem CID20832387
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Namemethyl (Z)-3-methoxy-2-(2-naphthalen-2-ylcyclopropyl)prop-2-enoate
SMILESCO/C=C(\C(=O)OC)C1CC1c1ccc2ccccc2c1
InChIInChI=1S/C18H18O3/c1-20-11-17(18(19)21-2)16-10-15(16)14-8-7-12-5-3-4-6-13(12)9-14/h3-9,11,15-16H,10H2,1-2H3/b17-11-
InChIKeyUELLOFPYXSLCBP-BOPFTXTBSA-N
XLogP3.65
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methyl (Z)-3-methoxy-2-(2-naphthalen-2-ylcyclopropyl)prop-2-enoate 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

methyl (Z)-3-methoxy-2-(2-phenylcyclopropyl)prop-2-enoate
CID 20832386
2-naphthalen-2-ylcyclopropane-1-carboxylic acid
CID 43810264
cis-(1S,2R)-2-naphthalen-2-ylcyclopropane-1-carboxylic acid
CID 51888066
trans-(1S,2S)-2-naphthalen-2-ylcyclopropane-1-carboxylic acid
CID 51888068
cis-ethyl (1S,2R)-2-naphthalen-2-ylcyclopropane-1-carboxylate
CID 15758689
[4-(methylaminomethyl)piperidin-1-yl]-(2-naphthalen-2-ylcyclopropyl)methanone
CID 119545280
N-(1-hydroxy-2-methylpropan-2-yl)-2-naphthalen-2-ylcyclopropane-1-carboxamide
CID 110001055
N-[(2R)-2-(ethylamino)propyl]-2-naphthalen-2-ylcyclopropane-1-carboxamide
CID 120650801
N-(2-aminoethyl)-2-naphthalen-2-ylcyclopropane-1-carboxamide
CID 119384164
trans-(1R,2S)-2-naphthalen-2-ylcyclopropan-1-amine
CID 51888201
N-(3-amino-2-methylpropyl)-2-naphthalen-2-ylcyclopropane-1-carboxamide;hydrochloride
CID 119998352
methyl (3R,4R)-1-methyl-4-naphthalen-2-ylpiperidine-3-carboxylate
CID 10660645

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-3-methoxy-2-(2-naphthalen-2-ylcyclopropyl)prop-2-enoate?
The IUPAC name of methyl (Z)-3-methoxy-2-(2-naphthalen-2-ylcyclopropyl)prop-2-enoate (CID 20832387) is methyl (Z)-3-methoxy-2-(2-naphthalen-2-ylcyclopropyl)prop-2-enoate.
What is the SMILES notation for methyl (Z)-3-methoxy-2-(2-naphthalen-2-ylcyclopropyl)prop-2-enoate?
The canonical SMILES for methyl (Z)-3-methoxy-2-(2-naphthalen-2-ylcyclopropyl)prop-2-enoate is CO/C=C(\C(=O)OC)C1CC1c1ccc2ccccc2c1.
What is the InChIKey of methyl (Z)-3-methoxy-2-(2-naphthalen-2-ylcyclopropyl)prop-2-enoate?
The InChIKey is UELLOFPYXSLCBP-BOPFTXTBSA-N. The full InChI is InChI=1S/C18H18O3/c1-20-11-17(18(19)21-2)16-10-15(16)14-8-7-12-5-3-4-6-13(12)9-14/h3-9,11,15-16H,10H2,1-2H3/b17-11-.
What are the key properties of methyl (Z)-3-methoxy-2-(2-naphthalen-2-ylcyclopropyl)prop-2-enoate?
methyl (Z)-3-methoxy-2-(2-naphthalen-2-ylcyclopropyl)prop-2-enoate has a molecular weight of 282.34 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-3-methoxy-2-(2-naphthalen-2-ylcyclopropyl)prop-2-enoate is sourced from PubChem (CID 20832387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).