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

C9H19NO — CID 159643972

IUPACmethane;1-(1-methylpyrrolidin-2-yl)propan-1-one
SMILESC.CCC(=O)C1CCCN1C
InChIInChI=1S/C8H15NO.CH4/c1-3-8(10)7-5-4-6-9(7)2;/h7H,3-6H2,1-2H3;1H4
InChIKeyMQSHDIDBSMULDA-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.70
Rot. Bonds2

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

methane;1-(1-methylpyrrolidin-2-yl)propan-1-one (PubChem CID 159643972) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is methane;1-(1-methylpyrrolidin-2-yl)propan-1-one.

Molecular Properties

Compound Namemethane;1-(1-methylpyrrolidin-2-yl)propan-1-one
PubChem CID159643972
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Namemethane;1-(1-methylpyrrolidin-2-yl)propan-1-one
SMILESC.CCC(=O)C1CCCN1C
InChIInChI=1S/C8H15NO.CH4/c1-3-8(10)7-5-4-6-9(7)2;/h7H,3-6H2,1-2H3;1H4
InChIKeyMQSHDIDBSMULDA-UHFFFAOYSA-N
XLogP1.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methane;1-(1-methylpyrrolidin-2-yl)propan-1-one?
The IUPAC name of methane;1-(1-methylpyrrolidin-2-yl)propan-1-one (CID 159643972) is methane;1-(1-methylpyrrolidin-2-yl)propan-1-one.
What is the SMILES notation for methane;1-(1-methylpyrrolidin-2-yl)propan-1-one?
The canonical SMILES for methane;1-(1-methylpyrrolidin-2-yl)propan-1-one is C.CCC(=O)C1CCCN1C.
What is the InChIKey of methane;1-(1-methylpyrrolidin-2-yl)propan-1-one?
The InChIKey is MQSHDIDBSMULDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO.CH4/c1-3-8(10)7-5-4-6-9(7)2;/h7H,3-6H2,1-2H3;1H4.
What are the key properties of methane;1-(1-methylpyrrolidin-2-yl)propan-1-one?
methane;1-(1-methylpyrrolidin-2-yl)propan-1-one has a molecular weight of 157.26 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-(1-methylpyrrolidin-2-yl)propan-1-one is sourced from PubChem (CID 159643972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).