1-(4,4-dimethylpent-1-en-2-yl)pyrrolidin-3-ol;methyl(methylidyne)phosphanium

C13H25NOP+ — CID 170976675

IUPAC1-(4,4-dimethylpent-1-en-2-yl)pyrrolidin-3-ol;methyl(methylidyne)phosphanium
SMILESC#[P+]C.C=C(CC(C)(C)C)N1CCC(O)C1
InChIInChI=1S/C11H21NO.C2H4P/c1-9(7-11(2,3)4)12-6-5-10(13)8-12;1-3-2/h10,13H,1,5-8H2,2-4H3;1H,2H3/q;+1
InChIKeyXTHDDWMQZUJVMR-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.15
Rot. Bonds2

About 1-(4,4-dimethylpent-1-en-2-yl)pyrrolidin-3-ol;methyl(methylidyne)phosphanium

1-(4,4-dimethylpent-1-en-2-yl)pyrrolidin-3-ol;methyl(methylidyne)phosphanium (PubChem CID 170976675) has the molecular formula C13H25NOP+ and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-(4,4-dimethylpent-1-en-2-yl)pyrrolidin-3-ol;methyl(methylidyne)phosphanium.

Molecular Properties

Compound Name1-(4,4-dimethylpent-1-en-2-yl)pyrrolidin-3-ol;methyl(methylidyne)phosphanium
PubChem CID170976675
Molecular FormulaC13H25NOP+
Molecular Weight242.32 g/mol
Exact Mass242.17
IUPAC Name1-(4,4-dimethylpent-1-en-2-yl)pyrrolidin-3-ol;methyl(methylidyne)phosphanium
SMILESC#[P+]C.C=C(CC(C)(C)C)N1CCC(O)C1
InChIInChI=1S/C11H21NO.C2H4P/c1-9(7-11(2,3)4)12-6-5-10(13)8-12;1-3-2/h10,13H,1,5-8H2,2-4H3;1H,2H3/q;+1
InChIKeyXTHDDWMQZUJVMR-UHFFFAOYSA-N
XLogP3.15
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.15
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

1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one
CID 62918429
potassium;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one;methanolate
CID 155707609
ethane;1-[(3R)-3-hydroxypyrrolidin-1-yl]-3,3-dimethylbutan-1-one;N-methylmethanamine
CID 153375524
potassium;azanide;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one;prop-1-ene
CID 176931826
ethane;ethenamine;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one
CID 157028597
3-amino-1-(3-hydroxypyrrolidin-1-yl)-3-methylbutan-1-one
CID 64679140
ethane;formamide;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one;N-methylmethanamine
CID 171073112
1-(1-aminooxyphosphanylidene-3,3-dimethylbutyl)pyrrolidin-3-ol
CID 171105480
1-(7-aminohept-1-en-2-yl)pyrrolidin-3-ol
CID 167214817
1-(azetidin-1-yl)-3,3-dimethylbutan-1-one;1-(4,4-dimethylpent-1-en-2-yl)-3-fluoroazetidine;N,N,3,3-tetramethylbutanamide
CID 159770051
1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-methylbut-3-en-1-one
CID 130920541
1-(3-hydroxypyrrolidin-1-yl)-2-methylprop-2-en-1-one
CID 91486972

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylpent-1-en-2-yl)pyrrolidin-3-ol;methyl(methylidyne)phosphanium?
The IUPAC name of 1-(4,4-dimethylpent-1-en-2-yl)pyrrolidin-3-ol;methyl(methylidyne)phosphanium (CID 170976675) is 1-(4,4-dimethylpent-1-en-2-yl)pyrrolidin-3-ol;methyl(methylidyne)phosphanium.
What is the SMILES notation for 1-(4,4-dimethylpent-1-en-2-yl)pyrrolidin-3-ol;methyl(methylidyne)phosphanium?
The canonical SMILES for 1-(4,4-dimethylpent-1-en-2-yl)pyrrolidin-3-ol;methyl(methylidyne)phosphanium is C#[P+]C.C=C(CC(C)(C)C)N1CCC(O)C1.
What is the InChIKey of 1-(4,4-dimethylpent-1-en-2-yl)pyrrolidin-3-ol;methyl(methylidyne)phosphanium?
The InChIKey is XTHDDWMQZUJVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO.C2H4P/c1-9(7-11(2,3)4)12-6-5-10(13)8-12;1-3-2/h10,13H,1,5-8H2,2-4H3;1H,2H3/q;+1.
What are the key properties of 1-(4,4-dimethylpent-1-en-2-yl)pyrrolidin-3-ol;methyl(methylidyne)phosphanium?
1-(4,4-dimethylpent-1-en-2-yl)pyrrolidin-3-ol;methyl(methylidyne)phosphanium has a molecular weight of 242.32 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylpent-1-en-2-yl)pyrrolidin-3-ol;methyl(methylidyne)phosphanium is sourced from PubChem (CID 170976675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).