methyl-[[3-(methylcarbamoyl)-4-phenylpyrrolidin-1-yl]methyl]-methylidenephosphanium

C15H22N2OP+ — CID 90732516

IUPACmethyl-[[3-(methylcarbamoyl)-4-phenylpyrrolidin-1-yl]methyl]-methylidenephosphanium
SMILESC=[P+](C)CN1CC(C(=O)NC)C(c2ccccc2)C1
InChIInChI=1S/C15H21N2OP/c1-16-15(18)14-10-17(11-19(2)3)9-13(14)12-7-5-4-6-8-12/h4-8,13-14H,2,9-11H2,1,3H3/p+1
InChIKeyKMMBVMUMZNKHLB-UHFFFAOYSA-O
MW277.33 g/mol
LogP1.95
Rot. Bonds4

About methyl-[[3-(methylcarbamoyl)-4-phenylpyrrolidin-1-yl]methyl]-methylidenephosphanium

methyl-[[3-(methylcarbamoyl)-4-phenylpyrrolidin-1-yl]methyl]-methylidenephosphanium (PubChem CID 90732516) has the molecular formula C15H22N2OP+ and a molecular weight of 277.33 g/mol. Its IUPAC name is methyl-[[3-(methylcarbamoyl)-4-phenylpyrrolidin-1-yl]methyl]-methylidenephosphanium.

Molecular Properties

Compound Namemethyl-[[3-(methylcarbamoyl)-4-phenylpyrrolidin-1-yl]methyl]-methylidenephosphanium
PubChem CID90732516
Molecular FormulaC15H22N2OP+
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Namemethyl-[[3-(methylcarbamoyl)-4-phenylpyrrolidin-1-yl]methyl]-methylidenephosphanium
SMILESC=[P+](C)CN1CC(C(=O)NC)C(c2ccccc2)C1
InChIInChI=1S/C15H21N2OP/c1-16-15(18)14-10-17(11-19(2)3)9-13(14)12-7-5-4-6-8-12/h4-8,13-14H,2,9-11H2,1,3H3/p+1
InChIKeyKMMBVMUMZNKHLB-UHFFFAOYSA-O
XLogP1.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide
CID 56787945
(3S,4R)-1-benzyl-4-phenylpyrrolidine-3-carboxylic acid
CID 12922299
2-cyclobutyl-N-[(3S,4R)-1-[2-(methylamino)-2-oxoethyl]-4-phenylpyrrolidin-3-yl]acetamide
CID 133130441
2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-N-(methylcarbamoyl)acetamide;hydrochloride
CID 120759684
(3S,4R)-1-benzyl-4-phenylpyrrolidine-3-carboxylic acid;ethane;iodoethane
CID 123682469
(3S,4R)-1-benzyl-4-phenylpyrrolidine-3-carboxamide
CID 91662836
1,3-bis[(3R,4S)-1-benzyl-4-phenylpyrrolidin-3-yl]urea
CID 102127410
(3R,4R)-1-methyl-N,4-diphenylpyrrolidine-3-carboxamide
CID 100894597
N-methyl-1-[(1R,2S)-2-phenylcyclopropyl]sulfonylpyrrolidine-3-carboxamide
CID 128851616
(4S)-1-benzyl-4-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-N-methylpyrrolidine-3-carboxamide
CID 143759058
(3R,4S)-1-(furan-2-ylmethyl)-N-methyl-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120949908
3-(3-amino-4-phenylpyrrolidin-1-yl)-N-methylpropanamide
CID 114263409

Frequently Asked Questions

What is the IUPAC name of methyl-[[3-(methylcarbamoyl)-4-phenylpyrrolidin-1-yl]methyl]-methylidenephosphanium?
The IUPAC name of methyl-[[3-(methylcarbamoyl)-4-phenylpyrrolidin-1-yl]methyl]-methylidenephosphanium (CID 90732516) is methyl-[[3-(methylcarbamoyl)-4-phenylpyrrolidin-1-yl]methyl]-methylidenephosphanium.
What is the SMILES notation for methyl-[[3-(methylcarbamoyl)-4-phenylpyrrolidin-1-yl]methyl]-methylidenephosphanium?
The canonical SMILES for methyl-[[3-(methylcarbamoyl)-4-phenylpyrrolidin-1-yl]methyl]-methylidenephosphanium is C=[P+](C)CN1CC(C(=O)NC)C(c2ccccc2)C1.
What is the InChIKey of methyl-[[3-(methylcarbamoyl)-4-phenylpyrrolidin-1-yl]methyl]-methylidenephosphanium?
The InChIKey is KMMBVMUMZNKHLB-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H21N2OP/c1-16-15(18)14-10-17(11-19(2)3)9-13(14)12-7-5-4-6-8-12/h4-8,13-14H,2,9-11H2,1,3H3/p+1.
What are the key properties of methyl-[[3-(methylcarbamoyl)-4-phenylpyrrolidin-1-yl]methyl]-methylidenephosphanium?
methyl-[[3-(methylcarbamoyl)-4-phenylpyrrolidin-1-yl]methyl]-methylidenephosphanium has a molecular weight of 277.33 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[[3-(methylcarbamoyl)-4-phenylpyrrolidin-1-yl]methyl]-methylidenephosphanium is sourced from PubChem (CID 90732516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).