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

C10H13NO2 — CID 79760181

IUPAC(2-methyloxolan-3-yl)-(1H-pyrrol-3-yl)methanone
SMILESCC1OCCC1C(=O)c1cc[nH]c1
InChIInChI=1S/C10H13NO2/c1-7-9(3-5-13-7)10(12)8-2-4-11-6-8/h2,4,6-7,9,11H,3,5H2,1H3
InChIKeyMRWAUOHBSZHUQW-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.62
Rot. Bonds2

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

(2-methyloxolan-3-yl)-(1H-pyrrol-3-yl)methanone (PubChem CID 79760181) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is (2-methyloxolan-3-yl)-(1H-pyrrol-3-yl)methanone.

Molecular Properties

Compound Name(2-methyloxolan-3-yl)-(1H-pyrrol-3-yl)methanone
PubChem CID79760181
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name(2-methyloxolan-3-yl)-(1H-pyrrol-3-yl)methanone
SMILESCC1OCCC1C(=O)c1cc[nH]c1
InChIInChI=1S/C10H13NO2/c1-7-9(3-5-13-7)10(12)8-2-4-11-6-8/h2,4,6-7,9,11H,3,5H2,1H3
InChIKeyMRWAUOHBSZHUQW-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

(4-iodophenyl)-(2-methyloxolan-3-yl)methanone
CID 79758034
2-(1H-pyrrole-3-carbonyl)cyclopropane-1-carboxylic acid
CID 116918530
(3,4-difluorophenyl)-(2-methyloxolan-3-yl)methanone
CID 79758215
5-(2-methyloxolane-3-carbonyl)-1,3-dihydroindol-2-one
CID 79759211
2-methyl-6-(2-methyloxolane-3-carbonyl)-4H-1,4-benzoxazin-3-one
CID 79759663
(3-chloro-4-methoxyphenyl)-(2-methyloxolan-3-yl)methanone
CID 79759516
(3R)-2-methyloxolane-3-carboxylic acid
CID 54532975
N-(4-carbamothioylphenyl)-2-methyloxolane-3-carboxamide
CID 79760045
2-adamantyl(1H-pyrrol-3-yl)methanone
CID 81096549
2-methyl-N-phenyloxolane-3-carboxamide
CID 79758849
1-[(2S,3R)-2-methyloxolan-3-yl]ethanone
CID 102014015
(1-methylindol-3-yl)-(2-methyloxolan-3-yl)methanone
CID 79757869

Frequently Asked Questions

What is the IUPAC name of (2-methyloxolan-3-yl)-(1H-pyrrol-3-yl)methanone?
The IUPAC name of (2-methyloxolan-3-yl)-(1H-pyrrol-3-yl)methanone (CID 79760181) is (2-methyloxolan-3-yl)-(1H-pyrrol-3-yl)methanone.
What is the SMILES notation for (2-methyloxolan-3-yl)-(1H-pyrrol-3-yl)methanone?
The canonical SMILES for (2-methyloxolan-3-yl)-(1H-pyrrol-3-yl)methanone is CC1OCCC1C(=O)c1cc[nH]c1.
What is the InChIKey of (2-methyloxolan-3-yl)-(1H-pyrrol-3-yl)methanone?
The InChIKey is MRWAUOHBSZHUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-7-9(3-5-13-7)10(12)8-2-4-11-6-8/h2,4,6-7,9,11H,3,5H2,1H3.
What are the key properties of (2-methyloxolan-3-yl)-(1H-pyrrol-3-yl)methanone?
(2-methyloxolan-3-yl)-(1H-pyrrol-3-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 (2-methyloxolan-3-yl)-(1H-pyrrol-3-yl)methanone is sourced from PubChem (CID 79760181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).