ethyl 1'-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2'-oxospiro[cyclopropane-2,3'-indole]-1-carboxylate

C30H30N2O3 — CID 90270713

IUPACethyl 1'-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2'-oxospiro[cyclopropane-2,3'-indole]-1-carboxylate
SMILESCCOC(=O)C1CC12C(=O)N(C1CCN(C3Cc4cccc5cccc3c45)CC1)c1ccccc12
InChIInChI=1S/C30H30N2O3/c1-2-35-28(33)24-18-30(24)23-11-3-4-12-25(23)32(29(30)34)21-13-15-31(16-14-21)26-17-20-9-5-7-19-8-6-10-22(26)27(19)20/h3-12,21,24,26H,2,13-18H2,1H3
InChIKeyMSXPJMSTIMSDPA-UHFFFAOYSA-N
MW466.58 g/mol
LogP4.77
Rot. Bonds4

About ethyl 1'-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2'-oxospiro[cyclopropane-2,3'-indole]-1-carboxylate

ethyl 1'-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2'-oxospiro[cyclopropane-2,3'-indole]-1-carboxylate (PubChem CID 90270713) has the molecular formula C30H30N2O3 and a molecular weight of 466.58 g/mol. Its IUPAC name is ethyl 1'-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2'-oxospiro[cyclopropane-2,3'-indole]-1-carboxylate.

Molecular Properties

Compound Nameethyl 1'-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2'-oxospiro[cyclopropane-2,3'-indole]-1-carboxylate
PubChem CID90270713
Molecular FormulaC30H30N2O3
Molecular Weight466.58 g/mol
Exact Mass466.23
IUPAC Nameethyl 1'-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2'-oxospiro[cyclopropane-2,3'-indole]-1-carboxylate
SMILESCCOC(=O)C1CC12C(=O)N(C1CCN(C3Cc4cccc5cccc3c45)CC1)c1ccccc12
InChIInChI=1S/C30H30N2O3/c1-2-35-28(33)24-18-30(24)23-11-3-4-12-25(23)32(29(30)34)21-13-15-31(16-14-21)26-17-20-9-5-7-19-8-6-10-22(26)27(19)20/h3-12,21,24,26H,2,13-18H2,1H3
InChIKeyMSXPJMSTIMSDPA-UHFFFAOYSA-N
XLogP4.77
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.58
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1'-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2'-oxospiro[cyclopropane-2,3'-indole]-1-carboxylate?
The IUPAC name of ethyl 1'-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2'-oxospiro[cyclopropane-2,3'-indole]-1-carboxylate (CID 90270713) is ethyl 1'-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2'-oxospiro[cyclopropane-2,3'-indole]-1-carboxylate.
What is the SMILES notation for ethyl 1'-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2'-oxospiro[cyclopropane-2,3'-indole]-1-carboxylate?
The canonical SMILES for ethyl 1'-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2'-oxospiro[cyclopropane-2,3'-indole]-1-carboxylate is CCOC(=O)C1CC12C(=O)N(C1CCN(C3Cc4cccc5cccc3c45)CC1)c1ccccc12.
What is the InChIKey of ethyl 1'-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2'-oxospiro[cyclopropane-2,3'-indole]-1-carboxylate?
The InChIKey is MSXPJMSTIMSDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N2O3/c1-2-35-28(33)24-18-30(24)23-11-3-4-12-25(23)32(29(30)34)21-13-15-31(16-14-21)26-17-20-9-5-7-19-8-6-10-22(26)27(19)20/h3-12,21,24,26H,2,13-18H2,1H3.
What are the key properties of ethyl 1'-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2'-oxospiro[cyclopropane-2,3'-indole]-1-carboxylate?
ethyl 1'-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2'-oxospiro[cyclopropane-2,3'-indole]-1-carboxylate has a molecular weight of 466.58 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1'-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2'-oxospiro[cyclopropane-2,3'-indole]-1-carboxylate is sourced from PubChem (CID 90270713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).