methyl 1-(methoxycarbonylamino)-1',3',3',5-tetramethylspiro[3H-pyrrole-2,2'-indole]-4-carboxylate

C19H25N3O4 — CID 102385757

IUPACmethyl 1-(methoxycarbonylamino)-1',3',3',5-tetramethylspiro[3H-pyrrole-2,2'-indole]-4-carboxylate
SMILESCOC(=O)NN1C(C)=C(C(=O)OC)CC12N(C)c1ccccc1C2(C)C
InChIInChI=1S/C19H25N3O4/c1-12-13(16(23)25-5)11-19(22(12)20-17(24)26-6)18(2,3)14-9-7-8-10-15(14)21(19)4/h7-10H,11H2,1-6H3,(H,20,24)
InChIKeyASUNJUJREKTWPF-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.53
Rot. Bonds2

About methyl 1-(methoxycarbonylamino)-1',3',3',5-tetramethylspiro[3H-pyrrole-2,2'-indole]-4-carboxylate

methyl 1-(methoxycarbonylamino)-1',3',3',5-tetramethylspiro[3H-pyrrole-2,2'-indole]-4-carboxylate (PubChem CID 102385757) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is methyl 1-(methoxycarbonylamino)-1',3',3',5-tetramethylspiro[3H-pyrrole-2,2'-indole]-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(methoxycarbonylamino)-1',3',3',5-tetramethylspiro[3H-pyrrole-2,2'-indole]-4-carboxylate
PubChem CID102385757
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Namemethyl 1-(methoxycarbonylamino)-1',3',3',5-tetramethylspiro[3H-pyrrole-2,2'-indole]-4-carboxylate
SMILESCOC(=O)NN1C(C)=C(C(=O)OC)CC12N(C)c1ccccc1C2(C)C
InChIInChI=1S/C19H25N3O4/c1-12-13(16(23)25-5)11-19(22(12)20-17(24)26-6)18(2,3)14-9-7-8-10-15(14)21(19)4/h7-10H,11H2,1-6H3,(H,20,24)
InChIKeyASUNJUJREKTWPF-UHFFFAOYSA-N
XLogP2.53
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(methoxycarbonylamino)-1',3',3',5-tetramethylspiro[3H-pyrrole-2,2'-indole]-4-carboxylate?
The IUPAC name of methyl 1-(methoxycarbonylamino)-1',3',3',5-tetramethylspiro[3H-pyrrole-2,2'-indole]-4-carboxylate (CID 102385757) is methyl 1-(methoxycarbonylamino)-1',3',3',5-tetramethylspiro[3H-pyrrole-2,2'-indole]-4-carboxylate.
What is the SMILES notation for methyl 1-(methoxycarbonylamino)-1',3',3',5-tetramethylspiro[3H-pyrrole-2,2'-indole]-4-carboxylate?
The canonical SMILES for methyl 1-(methoxycarbonylamino)-1',3',3',5-tetramethylspiro[3H-pyrrole-2,2'-indole]-4-carboxylate is COC(=O)NN1C(C)=C(C(=O)OC)CC12N(C)c1ccccc1C2(C)C.
What is the InChIKey of methyl 1-(methoxycarbonylamino)-1',3',3',5-tetramethylspiro[3H-pyrrole-2,2'-indole]-4-carboxylate?
The InChIKey is ASUNJUJREKTWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-12-13(16(23)25-5)11-19(22(12)20-17(24)26-6)18(2,3)14-9-7-8-10-15(14)21(19)4/h7-10H,11H2,1-6H3,(H,20,24).
What are the key properties of methyl 1-(methoxycarbonylamino)-1',3',3',5-tetramethylspiro[3H-pyrrole-2,2'-indole]-4-carboxylate?
methyl 1-(methoxycarbonylamino)-1',3',3',5-tetramethylspiro[3H-pyrrole-2,2'-indole]-4-carboxylate has a molecular weight of 359.43 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(methoxycarbonylamino)-1',3',3',5-tetramethylspiro[3H-pyrrole-2,2'-indole]-4-carboxylate is sourced from PubChem (CID 102385757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).