(2R)-2-[(5,5-dimethylpyrrolidin-3-yl)methyl]pent-4-en-1-ol

C12H23NO — CID 141177622

IUPAC(2R)-2-[(5,5-dimethylpyrrolidin-3-yl)methyl]pent-4-en-1-ol
SMILESC=CC[C@@H](CO)CC1CNC(C)(C)C1
InChIInChI=1S/C12H23NO/c1-4-5-10(9-14)6-11-7-12(2,3)13-8-11/h4,10-11,13-14H,1,5-9H2,2-3H3/t10-,11?/m1/s1
InChIKeyBCJXUIGJAKPMTI-NFJWQWPMSA-N
MW197.32 g/mol
LogP1.95
Rot. Bonds5

About (2R)-2-[(5,5-dimethylpyrrolidin-3-yl)methyl]pent-4-en-1-ol

(2R)-2-[(5,5-dimethylpyrrolidin-3-yl)methyl]pent-4-en-1-ol (PubChem CID 141177622) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (2R)-2-[(5,5-dimethylpyrrolidin-3-yl)methyl]pent-4-en-1-ol.

Molecular Properties

Compound Name(2R)-2-[(5,5-dimethylpyrrolidin-3-yl)methyl]pent-4-en-1-ol
PubChem CID141177622
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(2R)-2-[(5,5-dimethylpyrrolidin-3-yl)methyl]pent-4-en-1-ol
SMILESC=CC[C@@H](CO)CC1CNC(C)(C)C1
InChIInChI=1S/C12H23NO/c1-4-5-10(9-14)6-11-7-12(2,3)13-8-11/h4,10-11,13-14H,1,5-9H2,2-3H3/t10-,11?/m1/s1
InChIKeyBCJXUIGJAKPMTI-NFJWQWPMSA-N
XLogP1.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-4-[(pent-4-enylamino)methyl]hexan-1-ol
CID 89126691
(6-methyl-2,3,3a,6,7,7a-hexahydro-1H-indol-2-yl)methanol
CID 89219129
(1R)-1-[(4S)-4-methyl-5-prop-2-enylpyrrolidin-2-yl]ethanol
CID 130455913
1-[(3S)-5,5-dimethylpyrrolidin-3-yl]pent-4-en-2-ol
CID 141377133
1-(4-Methyl-5-prop-2-enylpyrrolidin-2-yl)ethanol
CID 144653686
4-[[(2R,3S)-4-(hydroxymethyl)-2,3-dimethylpyrrolidin-2-yl]methyl]pent-4-en-1-ol
CID 147223439
3-(5-Methyl-5-propylpyrrolidin-3-yl)propan-1-ol
CID 156070452
ethane;3-[5-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]-5-methylpyrrolidin-3-yl]propan-1-ol
CID 156639075
3-(5,5-Dimethyl-2-methylidenepyrrolidin-3-yl)propan-1-ol
CID 164027810
[2-(3-Methylbutyl)-4-methylidenepyrrolidin-2-yl]methanol
CID 174321344
[(2S)-5,5-bis(prop-2-enyl)pyrrolidin-2-yl]methanol
CID 25155273
[2-(Hex-5-en-2-ylamino)cycloheptyl]methanol
CID 104583381

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5,5-dimethylpyrrolidin-3-yl)methyl]pent-4-en-1-ol?
The IUPAC name of (2R)-2-[(5,5-dimethylpyrrolidin-3-yl)methyl]pent-4-en-1-ol (CID 141177622) is (2R)-2-[(5,5-dimethylpyrrolidin-3-yl)methyl]pent-4-en-1-ol.
What is the SMILES notation for (2R)-2-[(5,5-dimethylpyrrolidin-3-yl)methyl]pent-4-en-1-ol?
The canonical SMILES for (2R)-2-[(5,5-dimethylpyrrolidin-3-yl)methyl]pent-4-en-1-ol is C=CC[C@@H](CO)CC1CNC(C)(C)C1.
What is the InChIKey of (2R)-2-[(5,5-dimethylpyrrolidin-3-yl)methyl]pent-4-en-1-ol?
The InChIKey is BCJXUIGJAKPMTI-NFJWQWPMSA-N. The full InChI is InChI=1S/C12H23NO/c1-4-5-10(9-14)6-11-7-12(2,3)13-8-11/h4,10-11,13-14H,1,5-9H2,2-3H3/t10-,11?/m1/s1.
What are the key properties of (2R)-2-[(5,5-dimethylpyrrolidin-3-yl)methyl]pent-4-en-1-ol?
(2R)-2-[(5,5-dimethylpyrrolidin-3-yl)methyl]pent-4-en-1-ol has a molecular weight of 197.32 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5,5-dimethylpyrrolidin-3-yl)methyl]pent-4-en-1-ol is sourced from PubChem (CID 141177622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).