3-[1-(3-methylbut-3-enyl)pyrrolidin-2-yl]propan-1-ol

C12H23NO — CID 114448933

IUPAC3-[1-(3-methylbut-3-enyl)pyrrolidin-2-yl]propan-1-ol
SMILESC=C(C)CCN1CCCC1CCCO
InChIInChI=1S/C12H23NO/c1-11(2)7-9-13-8-3-5-12(13)6-4-10-14/h12,14H,1,3-10H2,2H3
InChIKeyAEDBBQLYDKLXAH-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.19
Rot. Bonds6

About 3-[1-(3-methylbut-3-enyl)pyrrolidin-2-yl]propan-1-ol

3-[1-(3-methylbut-3-enyl)pyrrolidin-2-yl]propan-1-ol (PubChem CID 114448933) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 3-[1-(3-methylbut-3-enyl)pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-(3-methylbut-3-enyl)pyrrolidin-2-yl]propan-1-ol
PubChem CID114448933
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name3-[1-(3-methylbut-3-enyl)pyrrolidin-2-yl]propan-1-ol
SMILESC=C(C)CCN1CCCC1CCCO
InChIInChI=1S/C12H23NO/c1-11(2)7-9-13-8-3-5-12(13)6-4-10-14/h12,14H,1,3-10H2,2H3
InChIKeyAEDBBQLYDKLXAH-UHFFFAOYSA-N
XLogP2.19
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.19
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-methyl-1-[(2S)-2-(2-methylprop-2-enyl)pyrrolidin-1-yl]propan-1-ol
CID 134447381
3-(9-Propan-2-yl-9-azabicyclo[4.2.1]non-3-en-3-yl)propan-1-ol
CID 170278572
(3S)-1-[(2R)-1-methyl-5-methylidenepyrrolidin-2-yl]pentan-3-ol
CID 59597482
3-(1-Prop-2-enylpyrrolidin-2-yl)propan-1-ol
CID 62467270
3-[1-(2-Methylpropyl)pyrrolidin-2-yl]propan-1-ol
CID 62467612
3-(1-But-3-en-2-ylpyrrolidin-2-yl)propan-1-ol
CID 62468680
3-[1-(3-Methylbut-2-enyl)pyrrolidin-2-yl]propan-1-ol
CID 62469058
3-[1-(2-Methylprop-2-enyl)pyrrolidin-2-yl]propan-1-ol
CID 62469223
3-(1-Pent-4-enylpyrrolidin-2-yl)propan-1-ol
CID 64298553
3-(1-But-3-enylpyrrolidin-2-yl)propan-1-ol
CID 64298554
3-[1-(2-Methylidenebutyl)pyrrolidin-2-yl]propan-1-ol
CID 66039019
3-(1-But-2-enylpyrrolidin-2-yl)propan-1-ol
CID 76944022

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-methylbut-3-enyl)pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-(3-methylbut-3-enyl)pyrrolidin-2-yl]propan-1-ol (CID 114448933) is 3-[1-(3-methylbut-3-enyl)pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-(3-methylbut-3-enyl)pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-(3-methylbut-3-enyl)pyrrolidin-2-yl]propan-1-ol is C=C(C)CCN1CCCC1CCCO.
What is the InChIKey of 3-[1-(3-methylbut-3-enyl)pyrrolidin-2-yl]propan-1-ol?
The InChIKey is AEDBBQLYDKLXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-11(2)7-9-13-8-3-5-12(13)6-4-10-14/h12,14H,1,3-10H2,2H3.
What are the key properties of 3-[1-(3-methylbut-3-enyl)pyrrolidin-2-yl]propan-1-ol?
3-[1-(3-methylbut-3-enyl)pyrrolidin-2-yl]propan-1-ol has a molecular weight of 197.32 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-methylbut-3-enyl)pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 114448933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).