(3R)-1-[(4R)-4,5-dimethylhex-1-en-3-yl]pyrrolidin-3-ol

C12H23NO — CID 157238919

IUPAC(3R)-1-[(4R)-4,5-dimethylhex-1-en-3-yl]pyrrolidin-3-ol
SMILESC=CC([C@H](C)C(C)C)N1CC[C@@H](O)C1
InChIInChI=1S/C12H23NO/c1-5-12(10(4)9(2)3)13-7-6-11(14)8-13/h5,9-12,14H,1,6-8H2,2-4H3/t10-,11-,12?/m1/s1
InChIKeyAUYYUGIUZMSPSK-XFKKCKKNSA-N
MW197.32 g/mol
LogP1.90
Rot. Bonds4

About (3R)-1-[(4R)-4,5-dimethylhex-1-en-3-yl]pyrrolidin-3-ol

(3R)-1-[(4R)-4,5-dimethylhex-1-en-3-yl]pyrrolidin-3-ol (PubChem CID 157238919) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (3R)-1-[(4R)-4,5-dimethylhex-1-en-3-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[(4R)-4,5-dimethylhex-1-en-3-yl]pyrrolidin-3-ol
PubChem CID157238919
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(3R)-1-[(4R)-4,5-dimethylhex-1-en-3-yl]pyrrolidin-3-ol
SMILESC=CC([C@H](C)C(C)C)N1CC[C@@H](O)C1
InChIInChI=1S/C12H23NO/c1-5-12(10(4)9(2)3)13-7-6-11(14)8-13/h5,9-12,14H,1,6-8H2,2-4H3/t10-,11-,12?/m1/s1
InChIKeyAUYYUGIUZMSPSK-XFKKCKKNSA-N
XLogP1.90
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3R)-1-[(4R)-4,5-dimethylhex-1-en-3-yl]pyrrolidin-3-ol with MolForge

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Related Compounds

1-Methyl-4-prop-2-enylpyrrolidin-3-ol
CID 59079721
1-(4,6,7-Trimethylcyclohepta-2,4-dien-1-yl)pyrrolidin-3-ol
CID 90701548
1-(4,5,6-Trimethylhept-3-enyl)pyrrolidin-3-ol
CID 123711237
(3R,4S)-1-tert-butyl-4-prop-2-enylpyrrolidin-3-ol
CID 130367474
(3R,4R)-1-tert-butyl-4-prop-2-enylpyrrolidin-3-ol
CID 130367769
(3R,4S)-1-methyl-4-prop-2-enylpyrrolidin-3-ol
CID 140584515
(3S,4S)-1-methyl-4-prop-2-enylpyrrolidin-3-ol
CID 163699802
2-Methyl-2-pyrrolidin-1-ylhex-5-en-3-ol
CID 79055701
5-Ethyl-5-pyrrolidin-1-ylhept-1-en-4-ol
CID 79068376
5-Methyl-5-pyrrolidin-1-ylhept-1-en-4-ol
CID 79068704
(3R)-1-(3-methylhex-5-en-2-yl)pyrrolidin-3-ol
CID 104167949
(3S)-1-(3-methylhex-5-en-2-yl)pyrrolidin-3-ol
CID 104171133

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(4R)-4,5-dimethylhex-1-en-3-yl]pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[(4R)-4,5-dimethylhex-1-en-3-yl]pyrrolidin-3-ol (CID 157238919) is (3R)-1-[(4R)-4,5-dimethylhex-1-en-3-yl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[(4R)-4,5-dimethylhex-1-en-3-yl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[(4R)-4,5-dimethylhex-1-en-3-yl]pyrrolidin-3-ol is C=CC([C@H](C)C(C)C)N1CC[C@@H](O)C1.
What is the InChIKey of (3R)-1-[(4R)-4,5-dimethylhex-1-en-3-yl]pyrrolidin-3-ol?
The InChIKey is AUYYUGIUZMSPSK-XFKKCKKNSA-N. The full InChI is InChI=1S/C12H23NO/c1-5-12(10(4)9(2)3)13-7-6-11(14)8-13/h5,9-12,14H,1,6-8H2,2-4H3/t10-,11-,12?/m1/s1.
What are the key properties of (3R)-1-[(4R)-4,5-dimethylhex-1-en-3-yl]pyrrolidin-3-ol?
(3R)-1-[(4R)-4,5-dimethylhex-1-en-3-yl]pyrrolidin-3-ol has a molecular weight of 197.32 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(4R)-4,5-dimethylhex-1-en-3-yl]pyrrolidin-3-ol is sourced from PubChem (CID 157238919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).