(5-methyloxolan-3-yl)-(1H-pyrrol-2-yl)methanone

C10H13NO2 — CID 114824797

IUPAC(5-methyloxolan-3-yl)-(1H-pyrrol-2-yl)methanone
SMILESCC1CC(C(=O)c2ccc[nH]2)CO1
InChIInChI=1S/C10H13NO2/c1-7-5-8(6-13-7)10(12)9-3-2-4-11-9/h2-4,7-8,11H,5-6H2,1H3
InChIKeyCFBDCMMUUKDYKV-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.62
Rot. Bonds2

About (5-methyloxolan-3-yl)-(1H-pyrrol-2-yl)methanone

(5-methyloxolan-3-yl)-(1H-pyrrol-2-yl)methanone (PubChem CID 114824797) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is (5-methyloxolan-3-yl)-(1H-pyrrol-2-yl)methanone.

Molecular Properties

Compound Name(5-methyloxolan-3-yl)-(1H-pyrrol-2-yl)methanone
PubChem CID114824797
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name(5-methyloxolan-3-yl)-(1H-pyrrol-2-yl)methanone
SMILESCC1CC(C(=O)c2ccc[nH]2)CO1
InChIInChI=1S/C10H13NO2/c1-7-5-8(6-13-7)10(12)9-3-2-4-11-9/h2-4,7-8,11H,5-6H2,1H3
InChIKeyCFBDCMMUUKDYKV-UHFFFAOYSA-N
XLogP1.62
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,4-difluorophenyl)-(5-methyloxolan-3-yl)methanone
CID 114824695
(4-methoxy-2-methylphenyl)-(5-methyloxolan-3-yl)methanone
CID 114965478
(3-bromothiophen-2-yl)-(5-methyloxolan-3-yl)methanone
CID 114824828
(2-methylpyrrolidin-3-yl)-(1H-pyrrol-2-yl)methanone
CID 130527867
(3S,5S)-5-methyloxolane-3-carboxylic acid
CID 97300455
(5-fluoro-1H-indol-3-yl)-(5-methyloxolan-3-yl)methanone
CID 114824799
(5-methyloxolan-3-yl)-(2-phenylpyrazol-3-yl)methanone
CID 107331838
1,2-dihydroacenaphthylen-5-yl-(5-methyloxolan-3-yl)methanone
CID 114939130
(2,5-dimethylfuran-3-yl)-(5-methyloxolan-3-yl)methanone
CID 114824778
(4-bromo-1-methylpyrazol-5-yl)-(5-methyloxolan-3-yl)methanone
CID 115814808
2-(2-chlorophenyl)-1-(5-methyloxolan-3-yl)ethanone
CID 114825779
(5-methyloxolan-3-yl)-(4-propoxyphenyl)methanone
CID 114971025

Frequently Asked Questions

What is the IUPAC name of (5-methyloxolan-3-yl)-(1H-pyrrol-2-yl)methanone?
The IUPAC name of (5-methyloxolan-3-yl)-(1H-pyrrol-2-yl)methanone (CID 114824797) is (5-methyloxolan-3-yl)-(1H-pyrrol-2-yl)methanone.
What is the SMILES notation for (5-methyloxolan-3-yl)-(1H-pyrrol-2-yl)methanone?
The canonical SMILES for (5-methyloxolan-3-yl)-(1H-pyrrol-2-yl)methanone is CC1CC(C(=O)c2ccc[nH]2)CO1.
What is the InChIKey of (5-methyloxolan-3-yl)-(1H-pyrrol-2-yl)methanone?
The InChIKey is CFBDCMMUUKDYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-7-5-8(6-13-7)10(12)9-3-2-4-11-9/h2-4,7-8,11H,5-6H2,1H3.
What are the key properties of (5-methyloxolan-3-yl)-(1H-pyrrol-2-yl)methanone?
(5-methyloxolan-3-yl)-(1H-pyrrol-2-yl)methanone has a molecular weight of 179.22 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyloxolan-3-yl)-(1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 114824797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).