1-(4-methylpent-4-enyl)pyrrolidin-3-ol

C10H19NO — CID 123249467

IUPAC1-(4-methylpent-4-enyl)pyrrolidin-3-ol
SMILESC=C(C)CCCN1CCC(O)C1
InChIInChI=1S/C10H19NO/c1-9(2)4-3-6-11-7-5-10(12)8-11/h10,12H,1,3-8H2,2H3
InChIKeyDMXAMKAIJDZDPO-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.41
Rot. Bonds4

About 1-(4-methylpent-4-enyl)pyrrolidin-3-ol

1-(4-methylpent-4-enyl)pyrrolidin-3-ol (PubChem CID 123249467) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-(4-methylpent-4-enyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(4-methylpent-4-enyl)pyrrolidin-3-ol
PubChem CID123249467
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1-(4-methylpent-4-enyl)pyrrolidin-3-ol
SMILESC=C(C)CCCN1CCC(O)C1
InChIInChI=1S/C10H19NO/c1-9(2)4-3-6-11-7-5-10(12)8-11/h10,12H,1,3-8H2,2H3
InChIKeyDMXAMKAIJDZDPO-UHFFFAOYSA-N
XLogP1.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.41
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

(2-Hydroxy-4-methylpent-4-enyl)-trimethylazanium
CID 21115588
(3S,5S)-5-prop-1-en-2-yl-1-propylpyrrolidin-3-ol
CID 57673973
1-Methyl-4-prop-2-enylpyrrolidin-3-ol
CID 59079721
1-[2-Hydroxyethyl(methyl)amino]-4-methylpent-4-en-2-ol
CID 88929026
1-[Methyl(4-methylpent-4-enyl)amino]propan-2-ol
CID 138548396
(3R,4S)-1-methyl-4-prop-2-enylpyrrolidin-3-ol
CID 140584515
(3R,4S)-1-methyl-4-prop-1-en-2-ylpyrrolidin-3-ol
CID 140584520
1-Methyl-4-prop-1-en-2-ylpyrrolidin-3-ol
CID 140584526
1-Pent-1-en-2-ylpyrrolidin-3-ol
CID 146430010
(3S,4S)-1-methyl-4-prop-2-enylpyrrolidin-3-ol
CID 163699802
(3R,5S)-1,1-dimethyl-5-prop-1-en-2-ylpyrrolidin-1-ium-3-ol
CID 166473737
1-(2-Methylprop-2-enyl)pyrrolidin-3-ol
CID 62917692

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpent-4-enyl)pyrrolidin-3-ol?
The IUPAC name of 1-(4-methylpent-4-enyl)pyrrolidin-3-ol (CID 123249467) is 1-(4-methylpent-4-enyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(4-methylpent-4-enyl)pyrrolidin-3-ol?
The canonical SMILES for 1-(4-methylpent-4-enyl)pyrrolidin-3-ol is C=C(C)CCCN1CCC(O)C1.
What is the InChIKey of 1-(4-methylpent-4-enyl)pyrrolidin-3-ol?
The InChIKey is DMXAMKAIJDZDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-9(2)4-3-6-11-7-5-10(12)8-11/h10,12H,1,3-8H2,2H3.
What are the key properties of 1-(4-methylpent-4-enyl)pyrrolidin-3-ol?
1-(4-methylpent-4-enyl)pyrrolidin-3-ol has a molecular weight of 169.27 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpent-4-enyl)pyrrolidin-3-ol is sourced from PubChem (CID 123249467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).