ethane;1-(1-propylpyrrolidin-3-yl)ethanone

C11H23NO — CID 91068645

IUPACethane;1-(1-propylpyrrolidin-3-yl)ethanone
SMILESCC.CCCN1CCC(C(C)=O)C1
InChIInChI=1S/C9H17NO.C2H6/c1-3-5-10-6-4-9(7-10)8(2)11;1-2/h9H,3-7H2,1-2H3;1-2H3
InChIKeyNSHPVICAUCMKAB-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.33
Rot. Bonds3

About ethane;1-(1-propylpyrrolidin-3-yl)ethanone

ethane;1-(1-propylpyrrolidin-3-yl)ethanone (PubChem CID 91068645) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is ethane;1-(1-propylpyrrolidin-3-yl)ethanone.

Molecular Properties

Compound Nameethane;1-(1-propylpyrrolidin-3-yl)ethanone
PubChem CID91068645
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Nameethane;1-(1-propylpyrrolidin-3-yl)ethanone
SMILESCC.CCCN1CCC(C(C)=O)C1
InChIInChI=1S/C9H17NO.C2H6/c1-3-5-10-6-4-9(7-10)8(2)11;1-2/h9H,3-7H2,1-2H3;1-2H3
InChIKeyNSHPVICAUCMKAB-UHFFFAOYSA-N
XLogP2.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-[1-[1-(1-propylpiperidin-4-yl)piperidin-4-yl]piperidin-4-yl]ethanone
CID 169158837
acetic acid;3-methyl-1-propylpyrrolidine
CID 175874786
1-propylpiperidine-4-carboxamide
CID 18678413
N-hydroxy-1-propylpiperidine-4-carboxamide;hydrochloride
CID 141032526
N-methyl-N-[(3S)-1-propylpyrrolidin-3-yl]acetamide
CID 178115715
1-[1-[2-(diethylamino)ethyl]piperidin-4-yl]ethanone
CID 63846150
1-[1-(2-methoxyethyl)piperidin-3-yl]ethanone
CID 63845115
methyl 1-hexylpyrrolidine-3-carboxylate
CID 79002814
1-[1-(3-hydroxy-3-methylbutyl)piperidin-3-yl]ethanone
CID 79355581
1-[1-(2-methylsulfonylethyl)piperidin-3-yl]ethanone
CID 63847030
ethyl (3S)-1-propylpiperidine-3-carboxylate
CID 51669174
1-(1-ethylsulfonylpyrrolidin-3-yl)ethanone
CID 122244984

Frequently Asked Questions

What is the IUPAC name of ethane;1-(1-propylpyrrolidin-3-yl)ethanone?
The IUPAC name of ethane;1-(1-propylpyrrolidin-3-yl)ethanone (CID 91068645) is ethane;1-(1-propylpyrrolidin-3-yl)ethanone.
What is the SMILES notation for ethane;1-(1-propylpyrrolidin-3-yl)ethanone?
The canonical SMILES for ethane;1-(1-propylpyrrolidin-3-yl)ethanone is CC.CCCN1CCC(C(C)=O)C1.
What is the InChIKey of ethane;1-(1-propylpyrrolidin-3-yl)ethanone?
The InChIKey is NSHPVICAUCMKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.C2H6/c1-3-5-10-6-4-9(7-10)8(2)11;1-2/h9H,3-7H2,1-2H3;1-2H3.
What are the key properties of ethane;1-(1-propylpyrrolidin-3-yl)ethanone?
ethane;1-(1-propylpyrrolidin-3-yl)ethanone has a molecular weight of 185.31 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(1-propylpyrrolidin-3-yl)ethanone is sourced from PubChem (CID 91068645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).