(E,2S)-5-[(2R)-1,2-dimethylpyrrolidin-2-yl]-3-methylpent-3-en-2-ol

C12H23NO — CID 163950534

IUPAC(E,2S)-5-[(2R)-1,2-dimethylpyrrolidin-2-yl]-3-methylpent-3-en-2-ol
SMILESC/C(=C\C[C@@]1(C)CCCN1C)[C@H](C)O
InChIInChI=1S/C12H23NO/c1-10(11(2)14)6-8-12(3)7-5-9-13(12)4/h6,11,14H,5,7-9H2,1-4H3/b10-6+/t11-,12+/m0/s1
InChIKeyDCMTXJISAHGKIF-RBWIOGKGSA-N
MW197.32 g/mol
LogP2.19
Rot. Bonds3

About (E,2S)-5-[(2R)-1,2-dimethylpyrrolidin-2-yl]-3-methylpent-3-en-2-ol

(E,2S)-5-[(2R)-1,2-dimethylpyrrolidin-2-yl]-3-methylpent-3-en-2-ol (PubChem CID 163950534) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (E,2S)-5-[(2R)-1,2-dimethylpyrrolidin-2-yl]-3-methylpent-3-en-2-ol.

Molecular Properties

Compound Name(E,2S)-5-[(2R)-1,2-dimethylpyrrolidin-2-yl]-3-methylpent-3-en-2-ol
PubChem CID163950534
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(E,2S)-5-[(2R)-1,2-dimethylpyrrolidin-2-yl]-3-methylpent-3-en-2-ol
SMILESC/C(=C\C[C@@]1(C)CCCN1C)[C@H](C)O
InChIInChI=1S/C12H23NO/c1-10(11(2)14)6-8-12(3)7-5-9-13(12)4/h6,11,14H,5,7-9H2,1-4H3/b10-6+/t11-,12+/m0/s1
InChIKeyDCMTXJISAHGKIF-RBWIOGKGSA-N
XLogP2.19
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.19
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

(8-Methyl-3,5,6,7-tetrahydropyrrolizin-1-yl)methanol
CID 331355
(E,2S)-5-[(2R)-1,2-dimethylpyrrolidin-5-id-2-yl]-3-methylpent-3-en-2-ol;uranium
CID 163950533
[(1R,4S)-4-hydroxy-3-methylcyclopent-2-en-1-yl]methyl-trimethylazanium
CID 3036159
4-[(Dimethylamino)methyl]-2-methylcyclopent-2-en-1-ol
CID 21121720
[(1S,4R)-4-hydroxy-3-methylcyclopent-2-en-1-yl]methyl-trimethylazanium
CID 21121722
(1Z)-1-(1,5-dimethylpyrrolidin-3-ylidene)propan-2-ol
CID 103971107
(1Z)-1-(1-azabicyclo[3.2.1]octan-4-ylidene)propan-2-ol
CID 105366385
[(8S)-8-methyl-3,5,6,7-tetrahydropyrrolizin-1-yl]methanol
CID 130628952
(1R,4R)-4-[(dimethylamino)methyl]-2-methylcyclopent-2-en-1-ol
CID 131134254

Frequently Asked Questions

What is the IUPAC name of (E,2S)-5-[(2R)-1,2-dimethylpyrrolidin-2-yl]-3-methylpent-3-en-2-ol?
The IUPAC name of (E,2S)-5-[(2R)-1,2-dimethylpyrrolidin-2-yl]-3-methylpent-3-en-2-ol (CID 163950534) is (E,2S)-5-[(2R)-1,2-dimethylpyrrolidin-2-yl]-3-methylpent-3-en-2-ol.
What is the SMILES notation for (E,2S)-5-[(2R)-1,2-dimethylpyrrolidin-2-yl]-3-methylpent-3-en-2-ol?
The canonical SMILES for (E,2S)-5-[(2R)-1,2-dimethylpyrrolidin-2-yl]-3-methylpent-3-en-2-ol is C/C(=C\C[C@@]1(C)CCCN1C)[C@H](C)O.
What is the InChIKey of (E,2S)-5-[(2R)-1,2-dimethylpyrrolidin-2-yl]-3-methylpent-3-en-2-ol?
The InChIKey is DCMTXJISAHGKIF-RBWIOGKGSA-N. The full InChI is InChI=1S/C12H23NO/c1-10(11(2)14)6-8-12(3)7-5-9-13(12)4/h6,11,14H,5,7-9H2,1-4H3/b10-6+/t11-,12+/m0/s1.
What are the key properties of (E,2S)-5-[(2R)-1,2-dimethylpyrrolidin-2-yl]-3-methylpent-3-en-2-ol?
(E,2S)-5-[(2R)-1,2-dimethylpyrrolidin-2-yl]-3-methylpent-3-en-2-ol has a molecular weight of 197.32 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S)-5-[(2R)-1,2-dimethylpyrrolidin-2-yl]-3-methylpent-3-en-2-ol is sourced from PubChem (CID 163950534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).