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

C18H24N4O3 — CID 102385756

IUPACmethyl 1-(carbamoylamino)-1',3',3',5-tetramethylspiro[3H-pyrrole-2,2'-indole]-4-carboxylate
SMILESCOC(=O)C1=C(C)N(NC(N)=O)C2(C1)N(C)c1ccccc1C2(C)C
InChIInChI=1S/C18H24N4O3/c1-11-12(15(23)25-5)10-18(22(11)20-16(19)24)17(2,3)13-8-6-7-9-14(13)21(18)4/h6-9H,10H2,1-5H3,(H3,19,20,24)
InChIKeySLKOXTIYTQRCHO-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.85
Rot. Bonds2

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

methyl 1-(carbamoylamino)-1',3',3',5-tetramethylspiro[3H-pyrrole-2,2'-indole]-4-carboxylate (PubChem CID 102385756) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is methyl 1-(carbamoylamino)-1',3',3',5-tetramethylspiro[3H-pyrrole-2,2'-indole]-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(carbamoylamino)-1',3',3',5-tetramethylspiro[3H-pyrrole-2,2'-indole]-4-carboxylate
PubChem CID102385756
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Namemethyl 1-(carbamoylamino)-1',3',3',5-tetramethylspiro[3H-pyrrole-2,2'-indole]-4-carboxylate
SMILESCOC(=O)C1=C(C)N(NC(N)=O)C2(C1)N(C)c1ccccc1C2(C)C
InChIInChI=1S/C18H24N4O3/c1-11-12(15(23)25-5)10-18(22(11)20-16(19)24)17(2,3)13-8-6-7-9-14(13)21(18)4/h6-9H,10H2,1-5H3,(H3,19,20,24)
InChIKeySLKOXTIYTQRCHO-UHFFFAOYSA-N
XLogP1.85
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(carbamoylamino)-1',3',3',5-tetramethylspiro[3H-pyrrole-2,2'-indole]-4-carboxylate?
The IUPAC name of methyl 1-(carbamoylamino)-1',3',3',5-tetramethylspiro[3H-pyrrole-2,2'-indole]-4-carboxylate (CID 102385756) is methyl 1-(carbamoylamino)-1',3',3',5-tetramethylspiro[3H-pyrrole-2,2'-indole]-4-carboxylate.
What is the SMILES notation for methyl 1-(carbamoylamino)-1',3',3',5-tetramethylspiro[3H-pyrrole-2,2'-indole]-4-carboxylate?
The canonical SMILES for methyl 1-(carbamoylamino)-1',3',3',5-tetramethylspiro[3H-pyrrole-2,2'-indole]-4-carboxylate is COC(=O)C1=C(C)N(NC(N)=O)C2(C1)N(C)c1ccccc1C2(C)C.
What is the InChIKey of methyl 1-(carbamoylamino)-1',3',3',5-tetramethylspiro[3H-pyrrole-2,2'-indole]-4-carboxylate?
The InChIKey is SLKOXTIYTQRCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-11-12(15(23)25-5)10-18(22(11)20-16(19)24)17(2,3)13-8-6-7-9-14(13)21(18)4/h6-9H,10H2,1-5H3,(H3,19,20,24).
What are the key properties of methyl 1-(carbamoylamino)-1',3',3',5-tetramethylspiro[3H-pyrrole-2,2'-indole]-4-carboxylate?
methyl 1-(carbamoylamino)-1',3',3',5-tetramethylspiro[3H-pyrrole-2,2'-indole]-4-carboxylate has a molecular weight of 344.42 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(carbamoylamino)-1',3',3',5-tetramethylspiro[3H-pyrrole-2,2'-indole]-4-carboxylate is sourced from PubChem (CID 102385756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).