methyl 5-(3-hydroxycyclobutyl)-1H-indole-3-carboxylate

C14H15NO3 — CID 168986739

IUPACmethyl 5-(3-hydroxycyclobutyl)-1H-indole-3-carboxylate
SMILESCOC(=O)c1c[nH]c2ccc(C3CC(O)C3)cc12
InChIInChI=1S/C14H15NO3/c1-18-14(17)12-7-15-13-3-2-8(6-11(12)13)9-4-10(16)5-9/h2-3,6-7,9-10,15-16H,4-5H2,1H3
InChIKeyRVWSSFLINZNCOH-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.19
Rot. Bonds2

About methyl 5-(3-hydroxycyclobutyl)-1H-indole-3-carboxylate

methyl 5-(3-hydroxycyclobutyl)-1H-indole-3-carboxylate (PubChem CID 168986739) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is methyl 5-(3-hydroxycyclobutyl)-1H-indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(3-hydroxycyclobutyl)-1H-indole-3-carboxylate
PubChem CID168986739
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Namemethyl 5-(3-hydroxycyclobutyl)-1H-indole-3-carboxylate
SMILESCOC(=O)c1c[nH]c2ccc(C3CC(O)C3)cc12
InChIInChI=1S/C14H15NO3/c1-18-14(17)12-7-15-13-3-2-8(6-11(12)13)9-4-10(16)5-9/h2-3,6-7,9-10,15-16H,4-5H2,1H3
InChIKeyRVWSSFLINZNCOH-UHFFFAOYSA-N
XLogP2.19
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze methyl 5-(3-hydroxycyclobutyl)-1H-indole-3-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

methyl 5-fluoro-1H-indole-3-carboxylate
CID 34176452
methyl 5-methylsulfanyl-1H-indole-3-carboxylate
CID 89470406
2,3-dihydroxy-3-(3-methoxycarbonyl-1H-indol-5-yl)propanoic acid
CID 170824941
methyl 5-ethylsulfonyl-1H-indole-3-carboxylate
CID 83984813
ethane;methyl 1H-indole-3-carboxylate
CID 143850313
methyl 5-(1-benzyl-2,5-dioxopyrrolidin-3-yl)-1H-indole-3-carboxylate
CID 67530601
3-O-tert-butyl 5-O-methyl 1H-indole-3,5-dicarboxylate
CID 141180105
methyl 5-[4-(2,6-dimethoxyphenyl)phenyl]-1H-indole-3-carboxylate
CID 90353210
methyl 5-(4-hydroxy-2-methylphenyl)-1H-indole-3-carboxylate
CID 57443275
methyl 6-bromo-5-methyl-1H-indole-3-carboxylate
CID 130049639
methyl 5-cyclopropyl-2-[(3-phenyl-1H-indol-5-yl)methyl]benzoate
CID 160691384
methyl 3-[2-(dimethylamino)-2-oxoacetyl]-1H-indole-5-carboxylate
CID 121230644

Frequently Asked Questions

What is the IUPAC name of methyl 5-(3-hydroxycyclobutyl)-1H-indole-3-carboxylate?
The IUPAC name of methyl 5-(3-hydroxycyclobutyl)-1H-indole-3-carboxylate (CID 168986739) is methyl 5-(3-hydroxycyclobutyl)-1H-indole-3-carboxylate.
What is the SMILES notation for methyl 5-(3-hydroxycyclobutyl)-1H-indole-3-carboxylate?
The canonical SMILES for methyl 5-(3-hydroxycyclobutyl)-1H-indole-3-carboxylate is COC(=O)c1c[nH]c2ccc(C3CC(O)C3)cc12.
What is the InChIKey of methyl 5-(3-hydroxycyclobutyl)-1H-indole-3-carboxylate?
The InChIKey is RVWSSFLINZNCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-18-14(17)12-7-15-13-3-2-8(6-11(12)13)9-4-10(16)5-9/h2-3,6-7,9-10,15-16H,4-5H2,1H3.
What are the key properties of methyl 5-(3-hydroxycyclobutyl)-1H-indole-3-carboxylate?
methyl 5-(3-hydroxycyclobutyl)-1H-indole-3-carboxylate has a molecular weight of 245.28 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(3-hydroxycyclobutyl)-1H-indole-3-carboxylate is sourced from PubChem (CID 168986739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).