ethane;1-pyrrolidin-1-ylbutan-1-one

C10H21NO — CID 142223486

IUPACethane;1-pyrrolidin-1-ylbutan-1-one
SMILESCC.CCCC(=O)N1CCCC1
InChIInChI=1S/C8H15NO.C2H6/c1-2-5-8(10)9-6-3-4-7-9;1-2/h2-7H2,1H3;1-2H3
InChIKeyBNBVLJWNSNRIHV-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.44
Rot. Bonds2

About ethane;1-pyrrolidin-1-ylbutan-1-one

ethane;1-pyrrolidin-1-ylbutan-1-one (PubChem CID 142223486) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is ethane;1-pyrrolidin-1-ylbutan-1-one.

Molecular Properties

Compound Nameethane;1-pyrrolidin-1-ylbutan-1-one
PubChem CID142223486
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Nameethane;1-pyrrolidin-1-ylbutan-1-one
SMILESCC.CCCC(=O)N1CCCC1
InChIInChI=1S/C8H15NO.C2H6/c1-2-5-8(10)9-6-3-4-7-9;1-2/h2-7H2,1H3;1-2H3
InChIKeyBNBVLJWNSNRIHV-UHFFFAOYSA-N
XLogP2.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 10631004
1-pyrrolidin-1-ylheptadecan-1-one
CID 574649
1-(1,4-thiazepan-4-yl)butan-1-one
CID 60774029
cyclohexylmethanol;1-piperidin-1-ylbutan-1-one
CID 164604565
1,4-bis(azepan-1-yl)butane-1,4-dione
CID 5206430
1-piperidin-1-ylhexane-1,3-dione
CID 101450737
1-(1,2,5-dithiazepan-5-yl)butan-1-one
CID 131201188
1-piperazin-1-ylbutan-1-one;hydrochloride
CID 67460380
1-(4-propanoyl-1,4-diazocan-1-yl)propan-1-one
CID 146415893
1-(azepan-1-yl)propan-1-one
CID 3613534
N-(1-butanoylpiperidin-4-yl)cyclopropanecarboxamide
CID 60758370
1-(5-azaspiro[2.5]octan-5-yl)butan-1-one
CID 130890888

Frequently Asked Questions

What is the IUPAC name of ethane;1-pyrrolidin-1-ylbutan-1-one?
The IUPAC name of ethane;1-pyrrolidin-1-ylbutan-1-one (CID 142223486) is ethane;1-pyrrolidin-1-ylbutan-1-one.
What is the SMILES notation for ethane;1-pyrrolidin-1-ylbutan-1-one?
The canonical SMILES for ethane;1-pyrrolidin-1-ylbutan-1-one is CC.CCCC(=O)N1CCCC1.
What is the InChIKey of ethane;1-pyrrolidin-1-ylbutan-1-one?
The InChIKey is BNBVLJWNSNRIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO.C2H6/c1-2-5-8(10)9-6-3-4-7-9;1-2/h2-7H2,1H3;1-2H3.
What are the key properties of ethane;1-pyrrolidin-1-ylbutan-1-one?
ethane;1-pyrrolidin-1-ylbutan-1-one has a molecular weight of 171.28 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-pyrrolidin-1-ylbutan-1-one is sourced from PubChem (CID 142223486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).