methyl 7-(methoxycarbonylamino)-4-methyl-1,2,3a,8b-tetrahydropyrrolo[2,3-b]indole-3-carboxylate

C15H19N3O4 — CID 19908928

IUPACmethyl 7-(methoxycarbonylamino)-4-methyl-1,2,3a,8b-tetrahydropyrrolo[2,3-b]indole-3-carboxylate
SMILESCOC(=O)Nc1ccc2c(c1)C1CCN(C(=O)OC)C1N2C
InChIInChI=1S/C15H19N3O4/c1-17-12-5-4-9(16-14(19)21-2)8-11(12)10-6-7-18(13(10)17)15(20)22-3/h4-5,8,10,13H,6-7H2,1-3H3,(H,16,19)
InChIKeyPKWVXHIUMAASSH-UHFFFAOYSA-N
MW305.33 g/mol
LogP2.20
Rot. Bonds1

About methyl 7-(methoxycarbonylamino)-4-methyl-1,2,3a,8b-tetrahydropyrrolo[2,3-b]indole-3-carboxylate

methyl 7-(methoxycarbonylamino)-4-methyl-1,2,3a,8b-tetrahydropyrrolo[2,3-b]indole-3-carboxylate (PubChem CID 19908928) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is methyl 7-(methoxycarbonylamino)-4-methyl-1,2,3a,8b-tetrahydropyrrolo[2,3-b]indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 7-(methoxycarbonylamino)-4-methyl-1,2,3a,8b-tetrahydropyrrolo[2,3-b]indole-3-carboxylate
PubChem CID19908928
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Namemethyl 7-(methoxycarbonylamino)-4-methyl-1,2,3a,8b-tetrahydropyrrolo[2,3-b]indole-3-carboxylate
SMILESCOC(=O)Nc1ccc2c(c1)C1CCN(C(=O)OC)C1N2C
InChIInChI=1S/C15H19N3O4/c1-17-12-5-4-9(16-14(19)21-2)8-11(12)10-6-7-18(13(10)17)15(20)22-3/h4-5,8,10,13H,6-7H2,1-3H3,(H,16,19)
InChIKeyPKWVXHIUMAASSH-UHFFFAOYSA-N
XLogP2.20
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 7-(methoxycarbonylamino)-4-methyl-1,2,3a,8b-tetrahydropyrrolo[2,3-b]indole-3-carboxylate?
The IUPAC name of methyl 7-(methoxycarbonylamino)-4-methyl-1,2,3a,8b-tetrahydropyrrolo[2,3-b]indole-3-carboxylate (CID 19908928) is methyl 7-(methoxycarbonylamino)-4-methyl-1,2,3a,8b-tetrahydropyrrolo[2,3-b]indole-3-carboxylate.
What is the SMILES notation for methyl 7-(methoxycarbonylamino)-4-methyl-1,2,3a,8b-tetrahydropyrrolo[2,3-b]indole-3-carboxylate?
The canonical SMILES for methyl 7-(methoxycarbonylamino)-4-methyl-1,2,3a,8b-tetrahydropyrrolo[2,3-b]indole-3-carboxylate is COC(=O)Nc1ccc2c(c1)C1CCN(C(=O)OC)C1N2C.
What is the InChIKey of methyl 7-(methoxycarbonylamino)-4-methyl-1,2,3a,8b-tetrahydropyrrolo[2,3-b]indole-3-carboxylate?
The InChIKey is PKWVXHIUMAASSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-17-12-5-4-9(16-14(19)21-2)8-11(12)10-6-7-18(13(10)17)15(20)22-3/h4-5,8,10,13H,6-7H2,1-3H3,(H,16,19).
What are the key properties of methyl 7-(methoxycarbonylamino)-4-methyl-1,2,3a,8b-tetrahydropyrrolo[2,3-b]indole-3-carboxylate?
methyl 7-(methoxycarbonylamino)-4-methyl-1,2,3a,8b-tetrahydropyrrolo[2,3-b]indole-3-carboxylate has a molecular weight of 305.33 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-(methoxycarbonylamino)-4-methyl-1,2,3a,8b-tetrahydropyrrolo[2,3-b]indole-3-carboxylate is sourced from PubChem (CID 19908928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).