methane;[(2S)-1-methyl-4-methylidene-2-propylpyrrolidin-2-yl]methanol

C11H23NO — CID 170771620

IUPACmethane;[(2S)-1-methyl-4-methylidene-2-propylpyrrolidin-2-yl]methanol
SMILESC.C=C1CN(C)[C@@](CO)(CCC)C1
InChIInChI=1S/C10H19NO.CH4/c1-4-5-10(8-12)6-9(2)7-11(10)3;/h12H,2,4-8H2,1,3H3;1H4/t10-;/m0./s1
InChIKeyVGCVVNHHUGZUPA-PPHPATTJSA-N
MW185.31 g/mol
LogP2.05
Rot. Bonds3

About methane;[(2S)-1-methyl-4-methylidene-2-propylpyrrolidin-2-yl]methanol

methane;[(2S)-1-methyl-4-methylidene-2-propylpyrrolidin-2-yl]methanol (PubChem CID 170771620) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is methane;[(2S)-1-methyl-4-methylidene-2-propylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Namemethane;[(2S)-1-methyl-4-methylidene-2-propylpyrrolidin-2-yl]methanol
PubChem CID170771620
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Namemethane;[(2S)-1-methyl-4-methylidene-2-propylpyrrolidin-2-yl]methanol
SMILESC.C=C1CN(C)[C@@](CO)(CCC)C1
InChIInChI=1S/C10H19NO.CH4/c1-4-5-10(8-12)6-9(2)7-11(10)3;/h12H,2,4-8H2,1,3H3;1H4/t10-;/m0./s1
InChIKeyVGCVVNHHUGZUPA-PPHPATTJSA-N
XLogP2.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-(2-(Fluoromethylene)tetrahydro-1H-pyrrolizin-7a(5H)-yl)methanol
CID 162730762
(2-fluoro-6-methylene-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol
CID 163686023
[(6Z,8S)-6-(fluoromethylene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol
CID 164875895
(S,Z)-(2-(Fluoromethylene)tetrahydro-1H-pyrrolizin-7A(5H)-YL)methanol
CID 164876019
(S,E)-(2-(Fluoromethylene)tetrahydro-1H-pyrrolizin-7A(5H)-YL)methanol
CID 164876022
[(6Z)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol
CID 164922173
[(4Z)-4-(2,2-difluoroethylidene)-1-methyl-2-propylpyrrolidin-2-yl]methanol
CID 164922426
[6-(fluoromethylene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol
CID 166095856
((2R)-2-Fluoro-6-methylenetetrahydro-1H-pyrrolizin-7A(5H)-YL)methanol
CID 167494819
((2S,7aR)-2-Fluoro-6-methylenetetrahydro-1H-pyrrolizin-7a(5H)-yl)methanol
CID 167996496
(R,Z)-(2-(Fluoromethylene)tetrahydro-1H-pyrrolizin-7a(5H)-yl)methanol
CID 168451164
[(6E,8R)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol
CID 169181975

Frequently Asked Questions

What is the IUPAC name of methane;[(2S)-1-methyl-4-methylidene-2-propylpyrrolidin-2-yl]methanol?
The IUPAC name of methane;[(2S)-1-methyl-4-methylidene-2-propylpyrrolidin-2-yl]methanol (CID 170771620) is methane;[(2S)-1-methyl-4-methylidene-2-propylpyrrolidin-2-yl]methanol.
What is the SMILES notation for methane;[(2S)-1-methyl-4-methylidene-2-propylpyrrolidin-2-yl]methanol?
The canonical SMILES for methane;[(2S)-1-methyl-4-methylidene-2-propylpyrrolidin-2-yl]methanol is C.C=C1CN(C)[C@@](CO)(CCC)C1.
What is the InChIKey of methane;[(2S)-1-methyl-4-methylidene-2-propylpyrrolidin-2-yl]methanol?
The InChIKey is VGCVVNHHUGZUPA-PPHPATTJSA-N. The full InChI is InChI=1S/C10H19NO.CH4/c1-4-5-10(8-12)6-9(2)7-11(10)3;/h12H,2,4-8H2,1,3H3;1H4/t10-;/m0./s1.
What are the key properties of methane;[(2S)-1-methyl-4-methylidene-2-propylpyrrolidin-2-yl]methanol?
methane;[(2S)-1-methyl-4-methylidene-2-propylpyrrolidin-2-yl]methanol has a molecular weight of 185.31 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;[(2S)-1-methyl-4-methylidene-2-propylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 170771620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).