propane;1-pyrrolidin-1-ylethanone

C9H19NO — CID 143432619

IUPACpropane;1-pyrrolidin-1-ylethanone
SMILESCC(=O)N1CCCC1.CCC
InChIInChI=1S/C6H11NO.C3H8/c1-6(8)7-4-2-3-5-7;1-3-2/h2-5H2,1H3;3H2,1-2H3
InChIKeyTVDSFUCKJHJNBB-UHFFFAOYSA-N
MW157.26 g/mol
LogP2.05
Rot. Bonds

About propane;1-pyrrolidin-1-ylethanone

propane;1-pyrrolidin-1-ylethanone (PubChem CID 143432619) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is propane;1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Namepropane;1-pyrrolidin-1-ylethanone
PubChem CID143432619
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Namepropane;1-pyrrolidin-1-ylethanone
SMILESCC(=O)N1CCCC1.CCC
InChIInChI=1S/C6H11NO.C3H8/c1-6(8)7-4-2-3-5-7;1-3-2/h2-5H2,1H3;3H2,1-2H3
InChIKeyTVDSFUCKJHJNBB-UHFFFAOYSA-N
XLogP2.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-2-pyrrolidone
CID 13387
N-ethyl-2-pyrrolidone
CID 17595
N,N,N-Trimethyl-4-(2-oxo-1-pyrrolidinyl)-2-butyn-1-aminium
CID 4629
N-methyl-N-(1-methyl-4-pyrrolidino-2-butynyl)acetamide
CID 55005
N,N-Dibutylpropanamide
CID 70909
Oxotremorine 1
CID 19716
N,N-Dibutylacetamide
CID 73811
2-Pyrrolidinone, 1-butyl-
CID 18984
N,N-Dipropylacetamide
CID 70690
2-Pyrrolidinone, 1-(4-(dimethylamino)-2-butynyl)-
CID 199230
N,N-Diethylbutanamide
CID 66192
2-Pyrrolidinone, 1-[3-(dimethylamino)propyl]-
CID 81848

Frequently Asked Questions

What is the IUPAC name of propane;1-pyrrolidin-1-ylethanone?
The IUPAC name of propane;1-pyrrolidin-1-ylethanone (CID 143432619) is propane;1-pyrrolidin-1-ylethanone.
What is the SMILES notation for propane;1-pyrrolidin-1-ylethanone?
The canonical SMILES for propane;1-pyrrolidin-1-ylethanone is CC(=O)N1CCCC1.CCC.
What is the InChIKey of propane;1-pyrrolidin-1-ylethanone?
The InChIKey is TVDSFUCKJHJNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.C3H8/c1-6(8)7-4-2-3-5-7;1-3-2/h2-5H2,1H3;3H2,1-2H3.
What are the key properties of propane;1-pyrrolidin-1-ylethanone?
propane;1-pyrrolidin-1-ylethanone has a molecular weight of 157.26 g/mol, XLogP of 2.05, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for propane;1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 143432619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).