1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[methyl(oxan-4-yl)amino]ethanone

C14H22N2O2 — CID 43797473

IUPAC1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[methyl(oxan-4-yl)amino]ethanone
SMILESCc1cc(C(=O)CN(C)C2CCOCC2)c(C)[nH]1
InChIInChI=1S/C14H22N2O2/c1-10-8-13(11(2)15-10)14(17)9-16(3)12-4-6-18-7-5-12/h8,12,15H,4-7,9H2,1-3H3
InChIKeyIVPWRQGHRDPWBN-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.93
Rot. Bonds4

About 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[methyl(oxan-4-yl)amino]ethanone

1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[methyl(oxan-4-yl)amino]ethanone (PubChem CID 43797473) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[methyl(oxan-4-yl)amino]ethanone.

Molecular Properties

Compound Name1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[methyl(oxan-4-yl)amino]ethanone
PubChem CID43797473
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[methyl(oxan-4-yl)amino]ethanone
SMILESCc1cc(C(=O)CN(C)C2CCOCC2)c(C)[nH]1
InChIInChI=1S/C14H22N2O2/c1-10-8-13(11(2)15-10)14(17)9-16(3)12-4-6-18-7-5-12/h8,12,15H,4-7,9H2,1-3H3
InChIKeyIVPWRQGHRDPWBN-UHFFFAOYSA-N
XLogP1.93
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[methyl(oxan-4-yl)amino]ethanone?
The IUPAC name of 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[methyl(oxan-4-yl)amino]ethanone (CID 43797473) is 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[methyl(oxan-4-yl)amino]ethanone.
What is the SMILES notation for 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[methyl(oxan-4-yl)amino]ethanone?
The canonical SMILES for 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[methyl(oxan-4-yl)amino]ethanone is Cc1cc(C(=O)CN(C)C2CCOCC2)c(C)[nH]1.
What is the InChIKey of 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[methyl(oxan-4-yl)amino]ethanone?
The InChIKey is IVPWRQGHRDPWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10-8-13(11(2)15-10)14(17)9-16(3)12-4-6-18-7-5-12/h8,12,15H,4-7,9H2,1-3H3.
What are the key properties of 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[methyl(oxan-4-yl)amino]ethanone?
1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[methyl(oxan-4-yl)amino]ethanone has a molecular weight of 250.34 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[methyl(oxan-4-yl)amino]ethanone is sourced from PubChem (CID 43797473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).