oxolan-3-yl-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone

C12H17NO2 — CID 63927265

IUPACoxolan-3-yl-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone
SMILESCc1[nH]c(C(=O)C2CCOC2)c(C)c1C
InChIInChI=1S/C12H17NO2/c1-7-8(2)11(13-9(7)3)12(14)10-4-5-15-6-10/h10,13H,4-6H2,1-3H3
InChIKeyZAJWDUKPYJMSGX-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.16
Rot. Bonds2

About oxolan-3-yl-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone

oxolan-3-yl-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone (PubChem CID 63927265) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is oxolan-3-yl-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone.

Molecular Properties

Compound Nameoxolan-3-yl-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone
PubChem CID63927265
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Nameoxolan-3-yl-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone
SMILESCc1[nH]c(C(=O)C2CCOC2)c(C)c1C
InChIInChI=1S/C12H17NO2/c1-7-8(2)11(13-9(7)3)12(14)10-4-5-15-6-10/h10,13H,4-6H2,1-3H3
InChIKeyZAJWDUKPYJMSGX-UHFFFAOYSA-N
XLogP2.16
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze oxolan-3-yl-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl 3-(5-formyl-2,4-dimethyl-1H-pyrrol-3-yl)propanoate
CID 10536383
Dimethyl 3,3'-(2,2'-methylenebis(5-formyl-4-methyl-1H-pyrrole-3,2-diyl))dipropanoate
CID 11784402
methyl 3-[5-formyl-2-[5-formyl-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrole-2-carbonyl]-4-methyl-1H-pyrrol-3-yl]propanoate
CID 15479651
Ethyl 3-(5-formyl-2,4-dimethyl-1H-pyrrol-3-yl)propanoate
CID 1501889
methyl 3-[2-formyl-4-(2-methoxy-2-oxoethyl)-5-methyl-1H-pyrrol-3-yl]propanoate
CID 14056695
1-(3,4,5-trimethyl-1H-pyrrol-2-yl)propan-1-one
CID 63927676
3-Methyl-4-(2-methoxy-carbonylethyl)-pyrrole-2,5-dialdehyde
CID 129717437
3-Methyl-4-(methoxycarbonylethyl)-2,5-pyrrole dialdehyde
CID 129717460
Diethyl 2,5-diformyl-1h-pyrrole-3,4-dipropanoate
CID 129839642
methyl 3-[2,4-dimethyl-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoacetyl]-1H-pyrrol-3-yl]propanoate
CID 134864944
3-(2,2-difluoroethoxy)-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)propan-1-one
CID 103206692
3-(2,2,2-trifluoroethoxy)-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)propan-1-one
CID 103206693

Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone?
The IUPAC name of oxolan-3-yl-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone (CID 63927265) is oxolan-3-yl-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone.
What is the SMILES notation for oxolan-3-yl-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone?
The canonical SMILES for oxolan-3-yl-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone is Cc1[nH]c(C(=O)C2CCOC2)c(C)c1C.
What is the InChIKey of oxolan-3-yl-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone?
The InChIKey is ZAJWDUKPYJMSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-7-8(2)11(13-9(7)3)12(14)10-4-5-15-6-10/h10,13H,4-6H2,1-3H3.
What are the key properties of oxolan-3-yl-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone?
oxolan-3-yl-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone has a molecular weight of 207.27 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 63927265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).