(3S)-1-[(E)-4,4-dimethylpent-2-enyl]pyrrolidin-3-ol

C11H21NO — CID 118228877

IUPAC(3S)-1-[(E)-4,4-dimethylpent-2-enyl]pyrrolidin-3-ol
SMILESCC(C)(C)/C=C/CN1CC[C@H](O)C1
InChIInChI=1S/C11H21NO/c1-11(2,3)6-4-7-12-8-5-10(13)9-12/h4,6,10,13H,5,7-9H2,1-3H3/b6-4+/t10-/m0/s1
InChIKeyFGFPPEYTNBAXLO-RWCYGVJQSA-N
MW183.30 g/mol
LogP1.66
Rot. Bonds2

About (3S)-1-[(E)-4,4-dimethylpent-2-enyl]pyrrolidin-3-ol

(3S)-1-[(E)-4,4-dimethylpent-2-enyl]pyrrolidin-3-ol (PubChem CID 118228877) has the molecular formula C11H21NO and a molecular weight of 183.30 g/mol. Its IUPAC name is (3S)-1-[(E)-4,4-dimethylpent-2-enyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[(E)-4,4-dimethylpent-2-enyl]pyrrolidin-3-ol
PubChem CID118228877
Molecular FormulaC11H21NO
Molecular Weight183.30 g/mol
Exact Mass183.16
IUPAC Name(3S)-1-[(E)-4,4-dimethylpent-2-enyl]pyrrolidin-3-ol
SMILESCC(C)(C)/C=C/CN1CC[C@H](O)C1
InChIInChI=1S/C11H21NO/c1-11(2,3)6-4-7-12-8-5-10(13)9-12/h4,6,10,13H,5,7-9H2,1-3H3/b6-4+/t10-/m0/s1
InChIKeyFGFPPEYTNBAXLO-RWCYGVJQSA-N
XLogP1.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(E)-4,4-dimethylpent-2-enyl]pyrrolidin-3-ol?
The IUPAC name of (3S)-1-[(E)-4,4-dimethylpent-2-enyl]pyrrolidin-3-ol (CID 118228877) is (3S)-1-[(E)-4,4-dimethylpent-2-enyl]pyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-[(E)-4,4-dimethylpent-2-enyl]pyrrolidin-3-ol?
The canonical SMILES for (3S)-1-[(E)-4,4-dimethylpent-2-enyl]pyrrolidin-3-ol is CC(C)(C)/C=C/CN1CC[C@H](O)C1.
What is the InChIKey of (3S)-1-[(E)-4,4-dimethylpent-2-enyl]pyrrolidin-3-ol?
The InChIKey is FGFPPEYTNBAXLO-RWCYGVJQSA-N. The full InChI is InChI=1S/C11H21NO/c1-11(2,3)6-4-7-12-8-5-10(13)9-12/h4,6,10,13H,5,7-9H2,1-3H3/b6-4+/t10-/m0/s1.
What are the key properties of (3S)-1-[(E)-4,4-dimethylpent-2-enyl]pyrrolidin-3-ol?
(3S)-1-[(E)-4,4-dimethylpent-2-enyl]pyrrolidin-3-ol has a molecular weight of 183.30 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(E)-4,4-dimethylpent-2-enyl]pyrrolidin-3-ol is sourced from PubChem (CID 118228877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).