cyclopropyl-(1-propan-2-ylpyrrolidin-3-yl)methanone

C11H19NO — CID 58803042

IUPACcyclopropyl-(1-propan-2-ylpyrrolidin-3-yl)methanone
SMILESCC(C)N1CCC(C(=O)C2CC2)C1
InChIInChI=1S/C11H19NO/c1-8(2)12-6-5-10(7-12)11(13)9-3-4-9/h8-10H,3-7H2,1-2H3
InChIKeyGGSQKAVOERVSMK-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.70
Rot. Bonds3

About cyclopropyl-(1-propan-2-ylpyrrolidin-3-yl)methanone

cyclopropyl-(1-propan-2-ylpyrrolidin-3-yl)methanone (PubChem CID 58803042) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is cyclopropyl-(1-propan-2-ylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Namecyclopropyl-(1-propan-2-ylpyrrolidin-3-yl)methanone
PubChem CID58803042
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Namecyclopropyl-(1-propan-2-ylpyrrolidin-3-yl)methanone
SMILESCC(C)N1CCC(C(=O)C2CC2)C1
InChIInChI=1S/C11H19NO/c1-8(2)12-6-5-10(7-12)11(13)9-3-4-9/h8-10H,3-7H2,1-2H3
InChIKeyGGSQKAVOERVSMK-UHFFFAOYSA-N
XLogP1.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-methyl-1-propan-2-ylpyrrolidine-3-carboxamide
CID 130272211
cyclopropyl-[1-(1-phenylethyl)pyrrolidin-3-yl]methanone
CID 22633923
ethane;1-(1-propan-2-ylpiperidin-4-yl)ethanone
CID 177135939
1-propan-2-ylazepane-3-carboxylic acid
CID 83618658
bis[1-(dichloromethyl)piperidin-4-yl]methanone
CID 174924603
(4-ethylpiperazin-1-yl)-[(3S)-1-propan-2-ylpyrrolidin-3-yl]methanone
CID 170184818
(3R)-1-propan-2-ylpiperidine-3-carboxamide
CID 58431105
4-methoxy-1-(1-propan-2-ylpiperidin-4-yl)pentan-1-one
CID 160772914
(3S)-1-propan-2-ylpyrrolidin-3-ol
CID 45087375
N-(1-propan-2-ylpyrrolidine-3-carbonyl)piperazine-1-carboxamide
CID 140563129
1-methyl-4-propan-2-ylpiperazine;methyl 1-propan-2-ylpiperidine-4-carboxylate;bis(1-(1-propan-2-ylpiperidin-3-yl)ethanone);1-(1-propan-2-ylpiperidin-4-yl)ethanone
CID 167665547
[(2R)-2-ethyl-4-(2-methylpropyl)piperazin-1-yl]-[(3R)-1-propan-2-ylpyrrolidin-3-yl]methanone
CID 170184751

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(1-propan-2-ylpyrrolidin-3-yl)methanone?
The IUPAC name of cyclopropyl-(1-propan-2-ylpyrrolidin-3-yl)methanone (CID 58803042) is cyclopropyl-(1-propan-2-ylpyrrolidin-3-yl)methanone.
What is the SMILES notation for cyclopropyl-(1-propan-2-ylpyrrolidin-3-yl)methanone?
The canonical SMILES for cyclopropyl-(1-propan-2-ylpyrrolidin-3-yl)methanone is CC(C)N1CCC(C(=O)C2CC2)C1.
What is the InChIKey of cyclopropyl-(1-propan-2-ylpyrrolidin-3-yl)methanone?
The InChIKey is GGSQKAVOERVSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-8(2)12-6-5-10(7-12)11(13)9-3-4-9/h8-10H,3-7H2,1-2H3.
What are the key properties of cyclopropyl-(1-propan-2-ylpyrrolidin-3-yl)methanone?
cyclopropyl-(1-propan-2-ylpyrrolidin-3-yl)methanone has a molecular weight of 181.28 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(1-propan-2-ylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 58803042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).