1-(2-ethyl-4-phosphanylpyrrolidin-1-yl)propan-1-one

C9H18NOP — CID 143214130

IUPAC1-(2-ethyl-4-phosphanylpyrrolidin-1-yl)propan-1-one
SMILESCCC(=O)N1CC(P)CC1CC
InChIInChI=1S/C9H18NOP/c1-3-7-5-8(12)6-10(7)9(11)4-2/h7-8H,3-6,12H2,1-2H3
InChIKeyUGEYNQVXJHBNQF-UHFFFAOYSA-N
MW187.22 g/mol
LogP1.65
Rot. Bonds2

About 1-(2-ethyl-4-phosphanylpyrrolidin-1-yl)propan-1-one

1-(2-ethyl-4-phosphanylpyrrolidin-1-yl)propan-1-one (PubChem CID 143214130) has the molecular formula C9H18NOP and a molecular weight of 187.22 g/mol. Its IUPAC name is 1-(2-ethyl-4-phosphanylpyrrolidin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(2-ethyl-4-phosphanylpyrrolidin-1-yl)propan-1-one
PubChem CID143214130
Molecular FormulaC9H18NOP
Molecular Weight187.22 g/mol
Exact Mass187.11
IUPAC Name1-(2-ethyl-4-phosphanylpyrrolidin-1-yl)propan-1-one
SMILESCCC(=O)N1CC(P)CC1CC
InChIInChI=1S/C9H18NOP/c1-3-7-5-8(12)6-10(7)9(11)4-2/h7-8H,3-6,12H2,1-2H3
InChIKeyUGEYNQVXJHBNQF-UHFFFAOYSA-N
XLogP1.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[(2S,5R)-4-(cyclopropanecarbonyl)-2,5-diethylpiperazin-1-yl]-cyclopropylmethanone
CID 95774523
1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one
CID 40538705
1-[2-(methoxymethyl)-4-methylpyrrolidin-1-yl]propan-1-one
CID 170768335
1-(2-ethyl-4-methylpyrrolidin-1-yl)-2-hydroxy-2-methylpropan-1-one
CID 131036550
1-(2-ethyl-4-methylpyrrolidin-1-yl)-4-(methylamino)butan-1-one
CID 119791886
4-hydroxy-1-propanoylpyrrolidine-2-carboxamide
CID 64591082
4-ethyl-3-propanoyl-1,3-oxazolidin-2-one
CID 71379112
1-[2,5-bis(2-methylpropyl)piperazin-1-yl]propan-1-one
CID 82245316
1-(2,3-dimethylpiperidin-1-yl)propan-1-one
CID 64591825
1-[(1S,5R)-6,6-dibromo-3-propanoyl-3-azabicyclo[3.1.0]hexan-2-yl]propan-1-one
CID 143195940
cyclopropyl-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 60645279
methyl (3R,6S)-6-methyl-1-propanoylpiperidine-3-carboxylate
CID 169210735

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-4-phosphanylpyrrolidin-1-yl)propan-1-one?
The IUPAC name of 1-(2-ethyl-4-phosphanylpyrrolidin-1-yl)propan-1-one (CID 143214130) is 1-(2-ethyl-4-phosphanylpyrrolidin-1-yl)propan-1-one.
What is the SMILES notation for 1-(2-ethyl-4-phosphanylpyrrolidin-1-yl)propan-1-one?
The canonical SMILES for 1-(2-ethyl-4-phosphanylpyrrolidin-1-yl)propan-1-one is CCC(=O)N1CC(P)CC1CC.
What is the InChIKey of 1-(2-ethyl-4-phosphanylpyrrolidin-1-yl)propan-1-one?
The InChIKey is UGEYNQVXJHBNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18NOP/c1-3-7-5-8(12)6-10(7)9(11)4-2/h7-8H,3-6,12H2,1-2H3.
What are the key properties of 1-(2-ethyl-4-phosphanylpyrrolidin-1-yl)propan-1-one?
1-(2-ethyl-4-phosphanylpyrrolidin-1-yl)propan-1-one has a molecular weight of 187.22 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-4-phosphanylpyrrolidin-1-yl)propan-1-one is sourced from PubChem (CID 143214130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).