(3R)-5,5-dimethyl-4-methylidene-1-phosphanyl-3-propylpyrrolidin-2-one

C10H18NOP — CID 58773526

IUPAC(3R)-5,5-dimethyl-4-methylidene-1-phosphanyl-3-propylpyrrolidin-2-one
SMILESC=C1[C@@H](CCC)C(=O)N(P)C1(C)C
InChIInChI=1S/C10H18NOP/c1-5-6-8-7(2)10(3,4)11(13)9(8)12/h8H,2,5-6,13H2,1,3-4H3/t8-/m1/s1
InChIKeyDUEYABGKXXBZBI-MRVPVSSYSA-N
MW199.23 g/mol
LogP2.37
Rot. Bonds2

About (3R)-5,5-dimethyl-4-methylidene-1-phosphanyl-3-propylpyrrolidin-2-one

(3R)-5,5-dimethyl-4-methylidene-1-phosphanyl-3-propylpyrrolidin-2-one (PubChem CID 58773526) has the molecular formula C10H18NOP and a molecular weight of 199.23 g/mol. Its IUPAC name is (3R)-5,5-dimethyl-4-methylidene-1-phosphanyl-3-propylpyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-5,5-dimethyl-4-methylidene-1-phosphanyl-3-propylpyrrolidin-2-one
PubChem CID58773526
Molecular FormulaC10H18NOP
Molecular Weight199.23 g/mol
Exact Mass199.11
IUPAC Name(3R)-5,5-dimethyl-4-methylidene-1-phosphanyl-3-propylpyrrolidin-2-one
SMILESC=C1[C@@H](CCC)C(=O)N(P)C1(C)C
InChIInChI=1S/C10H18NOP/c1-5-6-8-7(2)10(3,4)11(13)9(8)12/h8H,2,5-6,13H2,1,3-4H3/t8-/m1/s1
InChIKeyDUEYABGKXXBZBI-MRVPVSSYSA-N
XLogP2.37
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(5R,6R)-5-amino-3,3-dimethyl-2-methylidene-6-propyl-4-thia-1-azabicyclo[3.2.0]heptan-7-one
CID 70255286
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1-(2-cyclopropylpropan-2-yl)-5-propyl-1,3-diazinane-2,4,6-trione
CID 114112529
6,6-dimethyl-1-pentyl-3-propylpiperazine-2,5-dione
CID 64873577
(3R,6R)-1,4-dihydroxy-3,6-dipropylpiperazine-2,5-dione
CID 12789509
6-ethyl-1-(3-fluoropropyl)-6-methyl-3-propylpiperazine-2,5-dione
CID 81113360
2,3,4,5-tetrapropylcyclopent-3-en-1-one
CID 12027231
2-methylidene-3-propylaziridine
CID 149135851
1-cycloheptyl-6-ethyl-6-methyl-3-propylpiperazine-2,5-dione
CID 82924165
6,6-dimethyl-1-(oxan-2-ylmethyl)-3-propylpiperazine-2,5-dione
CID 64872985
3-(1-adamantyl)-5-propylimidazolidine-2,4-dione
CID 43630187
1-(1-cyclopropylethyl)-5-propyl-1,3-diazinane-2,4,6-trione
CID 112599308

Frequently Asked Questions

What is the IUPAC name of (3R)-5,5-dimethyl-4-methylidene-1-phosphanyl-3-propylpyrrolidin-2-one?
The IUPAC name of (3R)-5,5-dimethyl-4-methylidene-1-phosphanyl-3-propylpyrrolidin-2-one (CID 58773526) is (3R)-5,5-dimethyl-4-methylidene-1-phosphanyl-3-propylpyrrolidin-2-one.
What is the SMILES notation for (3R)-5,5-dimethyl-4-methylidene-1-phosphanyl-3-propylpyrrolidin-2-one?
The canonical SMILES for (3R)-5,5-dimethyl-4-methylidene-1-phosphanyl-3-propylpyrrolidin-2-one is C=C1[C@@H](CCC)C(=O)N(P)C1(C)C.
What is the InChIKey of (3R)-5,5-dimethyl-4-methylidene-1-phosphanyl-3-propylpyrrolidin-2-one?
The InChIKey is DUEYABGKXXBZBI-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H18NOP/c1-5-6-8-7(2)10(3,4)11(13)9(8)12/h8H,2,5-6,13H2,1,3-4H3/t8-/m1/s1.
What are the key properties of (3R)-5,5-dimethyl-4-methylidene-1-phosphanyl-3-propylpyrrolidin-2-one?
(3R)-5,5-dimethyl-4-methylidene-1-phosphanyl-3-propylpyrrolidin-2-one has a molecular weight of 199.23 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5,5-dimethyl-4-methylidene-1-phosphanyl-3-propylpyrrolidin-2-one is sourced from PubChem (CID 58773526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).