(2R,3S)-3-methyl-2-pyrrolidin-1-ylhex-5-en-3-ol

C11H21NO — CID 178185651

IUPAC(2R,3S)-3-methyl-2-pyrrolidin-1-ylhex-5-en-3-ol
SMILESC=CC[C@](C)(O)[C@@H](C)N1CCCC1
InChIInChI=1S/C11H21NO/c1-4-7-11(3,13)10(2)12-8-5-6-9-12/h4,10,13H,1,5-9H2,2-3H3/t10-,11+/m1/s1
InChIKeyPVRPHTIBEBCXTE-MNOVXSKESA-N
MW183.29 g/mol
LogP1.80
Rot. Bonds4

About (2R,3S)-3-methyl-2-pyrrolidin-1-ylhex-5-en-3-ol

(2R,3S)-3-methyl-2-pyrrolidin-1-ylhex-5-en-3-ol (PubChem CID 178185651) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (2R,3S)-3-methyl-2-pyrrolidin-1-ylhex-5-en-3-ol.

Molecular Properties

Compound Name(2R,3S)-3-methyl-2-pyrrolidin-1-ylhex-5-en-3-ol
PubChem CID178185651
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(2R,3S)-3-methyl-2-pyrrolidin-1-ylhex-5-en-3-ol
SMILESC=CC[C@](C)(O)[C@@H](C)N1CCCC1
InChIInChI=1S/C11H21NO/c1-4-7-11(3,13)10(2)12-8-5-6-9-12/h4,10,13H,1,5-9H2,2-3H3/t10-,11+/m1/s1
InChIKeyPVRPHTIBEBCXTE-MNOVXSKESA-N
XLogP1.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.80
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 (2R,3S)-3-methyl-2-pyrrolidin-1-ylhex-5-en-3-ol?
The IUPAC name of (2R,3S)-3-methyl-2-pyrrolidin-1-ylhex-5-en-3-ol (CID 178185651) is (2R,3S)-3-methyl-2-pyrrolidin-1-ylhex-5-en-3-ol.
What is the SMILES notation for (2R,3S)-3-methyl-2-pyrrolidin-1-ylhex-5-en-3-ol?
The canonical SMILES for (2R,3S)-3-methyl-2-pyrrolidin-1-ylhex-5-en-3-ol is C=CC[C@](C)(O)[C@@H](C)N1CCCC1.
What is the InChIKey of (2R,3S)-3-methyl-2-pyrrolidin-1-ylhex-5-en-3-ol?
The InChIKey is PVRPHTIBEBCXTE-MNOVXSKESA-N. The full InChI is InChI=1S/C11H21NO/c1-4-7-11(3,13)10(2)12-8-5-6-9-12/h4,10,13H,1,5-9H2,2-3H3/t10-,11+/m1/s1.
What are the key properties of (2R,3S)-3-methyl-2-pyrrolidin-1-ylhex-5-en-3-ol?
(2R,3S)-3-methyl-2-pyrrolidin-1-ylhex-5-en-3-ol has a molecular weight of 183.29 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-methyl-2-pyrrolidin-1-ylhex-5-en-3-ol is sourced from PubChem (CID 178185651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).