3-cyclohexyl-1-(1-methylpyrrol-2-yl)propan-1-one

C14H21NO — CID 163213475

IUPAC3-cyclohexyl-1-(1-methylpyrrol-2-yl)propan-1-one
SMILESCn1cccc1C(=O)CCC1CCCCC1
InChIInChI=1S/C14H21NO/c1-15-11-5-8-13(15)14(16)10-9-12-6-3-2-4-7-12/h5,8,11-12H,2-4,6-7,9-10H2,1H3
InChIKeyVKTLTVQPNPPLSB-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.57
Rot. Bonds4

About 3-cyclohexyl-1-(1-methylpyrrol-2-yl)propan-1-one

3-cyclohexyl-1-(1-methylpyrrol-2-yl)propan-1-one (PubChem CID 163213475) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 3-cyclohexyl-1-(1-methylpyrrol-2-yl)propan-1-one.

Molecular Properties

Compound Name3-cyclohexyl-1-(1-methylpyrrol-2-yl)propan-1-one
PubChem CID163213475
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name3-cyclohexyl-1-(1-methylpyrrol-2-yl)propan-1-one
SMILESCn1cccc1C(=O)CCC1CCCCC1
InChIInChI=1S/C14H21NO/c1-15-11-5-8-13(15)14(16)10-9-12-6-3-2-4-7-12/h5,8,11-12H,2-4,6-7,9-10H2,1H3
InChIKeyVKTLTVQPNPPLSB-UHFFFAOYSA-N
XLogP3.57
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopentylmethylsulfanyl)-1-(1-methylpyrrol-2-yl)ethanone
CID 63119820
2-cyclopropyl-1-(1-methylpyrrol-2-yl)ethanone
CID 152565416
2-(2-ethylazepan-1-yl)-1-(1-methylpyrrol-2-yl)ethanone
CID 112692580
[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 122132437
1-(1-methylpyrrol-2-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 61242976
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-1-(1-methylpyrrol-2-yl)ethanone
CID 51675918
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-1-(1-methylpyrrol-2-yl)ethanone
CID 129428064
2-(3,4-dihydroxypyrrolidin-1-yl)-1-(1-methylpyrrol-2-yl)ethanone
CID 106670312
3-cyclohexyl-1-(1,6-dimethylindol-3-yl)propan-1-one
CID 116547086
1-cyclopentyl-3-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]imidazolidine-2,4,5-trione
CID 31394641
3-cyclohexyl-1-(furan-3-yl)propan-1-one
CID 114971693
2-(methylamino)-1-(1-methylpyrrol-2-yl)ethanone
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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-(1-methylpyrrol-2-yl)propan-1-one?
The IUPAC name of 3-cyclohexyl-1-(1-methylpyrrol-2-yl)propan-1-one (CID 163213475) is 3-cyclohexyl-1-(1-methylpyrrol-2-yl)propan-1-one.
What is the SMILES notation for 3-cyclohexyl-1-(1-methylpyrrol-2-yl)propan-1-one?
The canonical SMILES for 3-cyclohexyl-1-(1-methylpyrrol-2-yl)propan-1-one is Cn1cccc1C(=O)CCC1CCCCC1.
What is the InChIKey of 3-cyclohexyl-1-(1-methylpyrrol-2-yl)propan-1-one?
The InChIKey is VKTLTVQPNPPLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-15-11-5-8-13(15)14(16)10-9-12-6-3-2-4-7-12/h5,8,11-12H,2-4,6-7,9-10H2,1H3.
What are the key properties of 3-cyclohexyl-1-(1-methylpyrrol-2-yl)propan-1-one?
3-cyclohexyl-1-(1-methylpyrrol-2-yl)propan-1-one has a molecular weight of 219.33 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(1-methylpyrrol-2-yl)propan-1-one is sourced from PubChem (CID 163213475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).