2-cyclopropyl-1-(1-methylpyrrol-2-yl)ethanone

C10H13NO — CID 152565416

IUPAC2-cyclopropyl-1-(1-methylpyrrol-2-yl)ethanone
SMILESCn1cccc1C(=O)CC1CC1
InChIInChI=1S/C10H13NO/c1-11-6-2-3-9(11)10(12)7-8-4-5-8/h2-3,6,8H,4-5,7H2,1H3
InChIKeyYQJLWNBTPUAUOF-UHFFFAOYSA-N
MW163.22 g/mol
LogP2.01
Rot. Bonds3

About 2-cyclopropyl-1-(1-methylpyrrol-2-yl)ethanone

2-cyclopropyl-1-(1-methylpyrrol-2-yl)ethanone (PubChem CID 152565416) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 2-cyclopropyl-1-(1-methylpyrrol-2-yl)ethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-(1-methylpyrrol-2-yl)ethanone
PubChem CID152565416
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name2-cyclopropyl-1-(1-methylpyrrol-2-yl)ethanone
SMILESCn1cccc1C(=O)CC1CC1
InChIInChI=1S/C10H13NO/c1-11-6-2-3-9(11)10(12)7-8-4-5-8/h2-3,6,8H,4-5,7H2,1H3
InChIKeyYQJLWNBTPUAUOF-UHFFFAOYSA-N
XLogP2.01
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopentylmethylsulfanyl)-1-(1-methylpyrrol-2-yl)ethanone
CID 63119820
3-cyclohexyl-1-(1-methylpyrrol-2-yl)propan-1-one
CID 163213475
2-(3,4-dihydroxypyrrolidin-1-yl)-1-(1-methylpyrrol-2-yl)ethanone
CID 106670312
2-(methylamino)-1-(1-methylpyrrol-2-yl)ethanone
CID 82594983
2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-1-(1-methylpyrrol-2-yl)ethanone
CID 63273927
[2-(1-methylpyrrol-2-yl)-2-oxoethyl]phosphonic acid
CID 161197491
1-(1-methylpyrrol-2-yl)pentane-1,3,4-trione
CID 20696797
2-(4-methylpiperazin-1-yl)-1-(1-methylpyrrol-2-yl)ethanone
CID 43226564
2-[3-(dimethylamino)pyrrolidin-1-yl]-1-(1-methylpyrrol-2-yl)ethanone
CID 63163799
[4-(fluoromethyl)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 126791630
2-(3-methylcyclohexyl)oxy-1-(1-methylpyrrol-2-yl)ethanone
CID 43800873
1-(1-methylpyrrol-2-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 61242976

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(1-methylpyrrol-2-yl)ethanone?
The IUPAC name of 2-cyclopropyl-1-(1-methylpyrrol-2-yl)ethanone (CID 152565416) is 2-cyclopropyl-1-(1-methylpyrrol-2-yl)ethanone.
What is the SMILES notation for 2-cyclopropyl-1-(1-methylpyrrol-2-yl)ethanone?
The canonical SMILES for 2-cyclopropyl-1-(1-methylpyrrol-2-yl)ethanone is Cn1cccc1C(=O)CC1CC1.
What is the InChIKey of 2-cyclopropyl-1-(1-methylpyrrol-2-yl)ethanone?
The InChIKey is YQJLWNBTPUAUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-11-6-2-3-9(11)10(12)7-8-4-5-8/h2-3,6,8H,4-5,7H2,1H3.
What are the key properties of 2-cyclopropyl-1-(1-methylpyrrol-2-yl)ethanone?
2-cyclopropyl-1-(1-methylpyrrol-2-yl)ethanone has a molecular weight of 163.22 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(1-methylpyrrol-2-yl)ethanone is sourced from PubChem (CID 152565416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).