ethane;1-(1-methylpyrrolidin-2-yl)propan-2-one

C10H21NO — CID 91473977

IUPACethane;1-(1-methylpyrrolidin-2-yl)propan-2-one
SMILESCC.CC(=O)CC1CCCN1C
InChIInChI=1S/C8H15NO.C2H6/c1-7(10)6-8-4-3-5-9(8)2;1-2/h8H,3-6H2,1-2H3;1-2H3
InChIKeyMYELZYJAZNHRAK-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.09
Rot. Bonds2

About ethane;1-(1-methylpyrrolidin-2-yl)propan-2-one

ethane;1-(1-methylpyrrolidin-2-yl)propan-2-one (PubChem CID 91473977) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is ethane;1-(1-methylpyrrolidin-2-yl)propan-2-one.

Molecular Properties

Compound Nameethane;1-(1-methylpyrrolidin-2-yl)propan-2-one
PubChem CID91473977
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Nameethane;1-(1-methylpyrrolidin-2-yl)propan-2-one
SMILESCC.CC(=O)CC1CCCN1C
InChIInChI=1S/C8H15NO.C2H6/c1-7(10)6-8-4-3-5-9(8)2;1-2/h8H,3-6H2,1-2H3;1-2H3
InChIKeyMYELZYJAZNHRAK-UHFFFAOYSA-N
XLogP2.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;1-(1-methylpyrrolidin-2-yl)propan-2-one?
The IUPAC name of ethane;1-(1-methylpyrrolidin-2-yl)propan-2-one (CID 91473977) is ethane;1-(1-methylpyrrolidin-2-yl)propan-2-one.
What is the SMILES notation for ethane;1-(1-methylpyrrolidin-2-yl)propan-2-one?
The canonical SMILES for ethane;1-(1-methylpyrrolidin-2-yl)propan-2-one is CC.CC(=O)CC1CCCN1C.
What is the InChIKey of ethane;1-(1-methylpyrrolidin-2-yl)propan-2-one?
The InChIKey is MYELZYJAZNHRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO.C2H6/c1-7(10)6-8-4-3-5-9(8)2;1-2/h8H,3-6H2,1-2H3;1-2H3.
What are the key properties of ethane;1-(1-methylpyrrolidin-2-yl)propan-2-one?
ethane;1-(1-methylpyrrolidin-2-yl)propan-2-one has a molecular weight of 171.28 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(1-methylpyrrolidin-2-yl)propan-2-one is sourced from PubChem (CID 91473977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).