cis-methyl (1S,2R)-2-(4-methylnaphthalene-1-carbonyl)cyclopropane-1-carboxylate

C17H16O3 — CID 99993029

IUPACcis-methyl (1S,2R)-2-(4-methylnaphthalene-1-carbonyl)cyclopropane-1-carboxylate
SMILESCOC(=O)[C@H]1C[C@H]1C(=O)c1ccc(C)c2ccccc12
InChIInChI=1S/C17H16O3/c1-10-7-8-13(12-6-4-3-5-11(10)12)16(18)14-9-15(14)17(19)20-2/h3-8,14-15H,9H2,1-2H3/t14-,15+/m1/s1
InChIKeyVSZBRIOPQBUNQZ-CABCVRRESA-N
MW268.31 g/mol
LogP3.14
Rot. Bonds3

About cis-methyl (1S,2R)-2-(4-methylnaphthalene-1-carbonyl)cyclopropane-1-carboxylate

cis-methyl (1S,2R)-2-(4-methylnaphthalene-1-carbonyl)cyclopropane-1-carboxylate (PubChem CID 99993029) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is cis-methyl (1S,2R)-2-(4-methylnaphthalene-1-carbonyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-methyl (1S,2R)-2-(4-methylnaphthalene-1-carbonyl)cyclopropane-1-carboxylate
PubChem CID99993029
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Namecis-methyl (1S,2R)-2-(4-methylnaphthalene-1-carbonyl)cyclopropane-1-carboxylate
SMILESCOC(=O)[C@H]1C[C@H]1C(=O)c1ccc(C)c2ccccc12
InChIInChI=1S/C17H16O3/c1-10-7-8-13(12-6-4-3-5-11(10)12)16(18)14-9-15(14)17(19)20-2/h3-8,14-15H,9H2,1-2H3/t14-,15+/m1/s1
InChIKeyVSZBRIOPQBUNQZ-CABCVRRESA-N
XLogP3.14
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze cis-methyl (1S,2R)-2-(4-methylnaphthalene-1-carbonyl)cyclopropane-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

(4-methoxynaphthalen-1-yl)-(2-methylcyclopropyl)methanone
CID 43340021
trans-methyl (1S,2S)-2-(4-methylbenzoyl)cyclopropane-1-carboxylate
CID 99992932
(4-methylnaphthalen-1-yl)-(5-methyloxolan-2-yl)methanone
CID 81330300
N,4-dimethylnaphthalene-1-carboxamide
CID 90054861
methyl 4-(4-methylnaphthalen-1-yl)-4-oxobutanoate
CID 82646447
tetramethyl (1S,2R,4S,5R)-cyclohexane-1,2,4,5-tetracarboxylate
CID 102016488
dimethyl cyclopropane-1,2-dicarboxylate
CID 2724542
4-methylnaphthalene-1-carboxylate;thallium(1+)
CID 22604806
methyl 2-(1-methylindole-3-carbonyl)cyclohexane-1-carboxylate
CID 85370263
trans-methyl (1S,2S)-2-phenylcyclopropane-1-carboxylate
CID 642984
trans-dimethyl (4S,5S)-4,5-bis(phenylmethoxy)cyclohexane-1,2-dicarboxylate
CID 11004179
cis-methyl (1S,2R)-2-phenylcyclobutane-1-carboxylate
CID 99991979

Frequently Asked Questions

What is the IUPAC name of cis-methyl (1S,2R)-2-(4-methylnaphthalene-1-carbonyl)cyclopropane-1-carboxylate?
The IUPAC name of cis-methyl (1S,2R)-2-(4-methylnaphthalene-1-carbonyl)cyclopropane-1-carboxylate (CID 99993029) is cis-methyl (1S,2R)-2-(4-methylnaphthalene-1-carbonyl)cyclopropane-1-carboxylate.
What is the SMILES notation for cis-methyl (1S,2R)-2-(4-methylnaphthalene-1-carbonyl)cyclopropane-1-carboxylate?
The canonical SMILES for cis-methyl (1S,2R)-2-(4-methylnaphthalene-1-carbonyl)cyclopropane-1-carboxylate is COC(=O)[C@H]1C[C@H]1C(=O)c1ccc(C)c2ccccc12.
What is the InChIKey of cis-methyl (1S,2R)-2-(4-methylnaphthalene-1-carbonyl)cyclopropane-1-carboxylate?
The InChIKey is VSZBRIOPQBUNQZ-CABCVRRESA-N. The full InChI is InChI=1S/C17H16O3/c1-10-7-8-13(12-6-4-3-5-11(10)12)16(18)14-9-15(14)17(19)20-2/h3-8,14-15H,9H2,1-2H3/t14-,15+/m1/s1.
What are the key properties of cis-methyl (1S,2R)-2-(4-methylnaphthalene-1-carbonyl)cyclopropane-1-carboxylate?
cis-methyl (1S,2R)-2-(4-methylnaphthalene-1-carbonyl)cyclopropane-1-carboxylate has a molecular weight of 268.31 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-methyl (1S,2R)-2-(4-methylnaphthalene-1-carbonyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 99993029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).