(3R,4S)-4-methyl-1-[(Z)-2-methylbut-2-enyl]pyrrolidin-3-ol

C10H19NO — CID 174261323

IUPAC(3R,4S)-4-methyl-1-[(Z)-2-methylbut-2-enyl]pyrrolidin-3-ol
SMILESC/C=C(/C)CN1C[C@H](C)[C@@H](O)C1
InChIInChI=1S/C10H19NO/c1-4-8(2)5-11-6-9(3)10(12)7-11/h4,9-10,12H,5-7H2,1-3H3/b8-4-/t9-,10-/m0/s1
InChIKeyZOHALGQHRYOKKM-BBYBGLFNSA-N
MW169.27 g/mol
LogP1.27
Rot. Bonds2

About (3R,4S)-4-methyl-1-[(Z)-2-methylbut-2-enyl]pyrrolidin-3-ol

(3R,4S)-4-methyl-1-[(Z)-2-methylbut-2-enyl]pyrrolidin-3-ol (PubChem CID 174261323) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (3R,4S)-4-methyl-1-[(Z)-2-methylbut-2-enyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4S)-4-methyl-1-[(Z)-2-methylbut-2-enyl]pyrrolidin-3-ol
PubChem CID174261323
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(3R,4S)-4-methyl-1-[(Z)-2-methylbut-2-enyl]pyrrolidin-3-ol
SMILESC/C=C(/C)CN1C[C@H](C)[C@@H](O)C1
InChIInChI=1S/C10H19NO/c1-4-8(2)5-11-6-9(3)10(12)7-11/h4,9-10,12H,5-7H2,1-3H3/b8-4-/t9-,10-/m0/s1
InChIKeyZOHALGQHRYOKKM-BBYBGLFNSA-N
XLogP1.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.27
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

1-(2,6-Dimethylhepta-2,4-dienyl)pyrrolidin-3-ol
CID 123870066
ethane;1-[(2E)-2-ethenylpenta-2,4-dienyl]pyrrolidin-3-ol
CID 143992014
[1-(3-Methylbut-2-enyl)pyrrolidin-3-yl]methanol
CID 62372270
1-(3-Methylbut-2-enyl)pyrrolidin-3-ol
CID 62917690
1-(2-Methylprop-2-enyl)pyrrolidin-3-ol
CID 62917692
(3S)-1-(3-methylbut-2-enyl)pyrrolidin-3-ol
CID 64114505
(3S)-1-(2-methylprop-2-enyl)pyrrolidin-3-ol
CID 64117018
1-(2-Methylidenebutyl)pyrrolidin-3-ol
CID 66039020
(3R)-1-(2-methylidenebutyl)pyrrolidin-3-ol
CID 66291615
1-But-2-enylpyrrolidin-3-ol
CID 76977696
(3S)-1-but-2-enylpyrrolidin-3-ol
CID 78960245
(3R)-1-(3-methylbut-2-enyl)pyrrolidin-3-ol
CID 78963340

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-methyl-1-[(Z)-2-methylbut-2-enyl]pyrrolidin-3-ol?
The IUPAC name of (3R,4S)-4-methyl-1-[(Z)-2-methylbut-2-enyl]pyrrolidin-3-ol (CID 174261323) is (3R,4S)-4-methyl-1-[(Z)-2-methylbut-2-enyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R,4S)-4-methyl-1-[(Z)-2-methylbut-2-enyl]pyrrolidin-3-ol?
The canonical SMILES for (3R,4S)-4-methyl-1-[(Z)-2-methylbut-2-enyl]pyrrolidin-3-ol is C/C=C(/C)CN1C[C@H](C)[C@@H](O)C1.
What is the InChIKey of (3R,4S)-4-methyl-1-[(Z)-2-methylbut-2-enyl]pyrrolidin-3-ol?
The InChIKey is ZOHALGQHRYOKKM-BBYBGLFNSA-N. The full InChI is InChI=1S/C10H19NO/c1-4-8(2)5-11-6-9(3)10(12)7-11/h4,9-10,12H,5-7H2,1-3H3/b8-4-/t9-,10-/m0/s1.
What are the key properties of (3R,4S)-4-methyl-1-[(Z)-2-methylbut-2-enyl]pyrrolidin-3-ol?
(3R,4S)-4-methyl-1-[(Z)-2-methylbut-2-enyl]pyrrolidin-3-ol has a molecular weight of 169.27 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-methyl-1-[(Z)-2-methylbut-2-enyl]pyrrolidin-3-ol is sourced from PubChem (CID 174261323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).