methyl 2-[(3aR,8bR)-2-methyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]acetate

C15H19NO2 — CID 59691508

IUPACmethyl 2-[(3aR,8bR)-2-methyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]acetate
SMILESCOC(=O)CC1c2ccccc2[C@@H]2CN(C)C[C@H]12
InChIInChI=1S/C15H19NO2/c1-16-8-13-11-6-4-3-5-10(11)12(14(13)9-16)7-15(17)18-2/h3-6,12-14H,7-9H2,1-2H3/t12?,13-,14+/m0/s1
InChIKeyGQLSHFYLIVUGNO-KFTPUPIBSA-N
MW245.32 g/mol
LogP1.99
Rot. Bonds2

About methyl 2-[(3aR,8bR)-2-methyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]acetate

methyl 2-[(3aR,8bR)-2-methyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]acetate (PubChem CID 59691508) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is methyl 2-[(3aR,8bR)-2-methyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(3aR,8bR)-2-methyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]acetate
PubChem CID59691508
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Namemethyl 2-[(3aR,8bR)-2-methyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]acetate
SMILESCOC(=O)CC1c2ccccc2[C@@H]2CN(C)C[C@H]12
InChIInChI=1S/C15H19NO2/c1-16-8-13-11-6-4-3-5-10(11)12(14(13)9-16)7-15(17)18-2/h3-6,12-14H,7-9H2,1-2H3/t12?,13-,14+/m0/s1
InChIKeyGQLSHFYLIVUGNO-KFTPUPIBSA-N
XLogP1.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3aR,8bR)-2-methyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]acetate?
The IUPAC name of methyl 2-[(3aR,8bR)-2-methyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]acetate (CID 59691508) is methyl 2-[(3aR,8bR)-2-methyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]acetate.
What is the SMILES notation for methyl 2-[(3aR,8bR)-2-methyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]acetate?
The canonical SMILES for methyl 2-[(3aR,8bR)-2-methyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]acetate is COC(=O)CC1c2ccccc2[C@@H]2CN(C)C[C@H]12.
What is the InChIKey of methyl 2-[(3aR,8bR)-2-methyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]acetate?
The InChIKey is GQLSHFYLIVUGNO-KFTPUPIBSA-N. The full InChI is InChI=1S/C15H19NO2/c1-16-8-13-11-6-4-3-5-10(11)12(14(13)9-16)7-15(17)18-2/h3-6,12-14H,7-9H2,1-2H3/t12?,13-,14+/m0/s1.
What are the key properties of methyl 2-[(3aR,8bR)-2-methyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]acetate?
methyl 2-[(3aR,8bR)-2-methyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]acetate has a molecular weight of 245.32 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3aR,8bR)-2-methyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]acetate is sourced from PubChem (CID 59691508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).