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

C12H23NO — CID 62469058

IUPAC3-[1-(3-methylbut-2-enyl)pyrrolidin-2-yl]propan-1-ol
SMILESCC(C)=CCN1CCCC1CCCO
InChIInChI=1S/C12H23NO/c1-11(2)7-9-13-8-3-5-12(13)6-4-10-14/h7,12,14H,3-6,8-10H2,1-2H3
InChIKeyCFTNNILRVDCRQU-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.19
Rot. Bonds5

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

3-[1-(3-methylbut-2-enyl)pyrrolidin-2-yl]propan-1-ol (PubChem CID 62469058) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 3-[1-(3-methylbut-2-enyl)pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-(3-methylbut-2-enyl)pyrrolidin-2-yl]propan-1-ol
PubChem CID62469058
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name3-[1-(3-methylbut-2-enyl)pyrrolidin-2-yl]propan-1-ol
SMILESCC(C)=CCN1CCCC1CCCO
InChIInChI=1S/C12H23NO/c1-11(2)7-9-13-8-3-5-12(13)6-4-10-14/h7,12,14H,3-6,8-10H2,1-2H3
InChIKeyCFTNNILRVDCRQU-UHFFFAOYSA-N
XLogP2.19
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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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Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-methylbut-2-enyl)pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-(3-methylbut-2-enyl)pyrrolidin-2-yl]propan-1-ol (CID 62469058) is 3-[1-(3-methylbut-2-enyl)pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-(3-methylbut-2-enyl)pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-(3-methylbut-2-enyl)pyrrolidin-2-yl]propan-1-ol is CC(C)=CCN1CCCC1CCCO.
What is the InChIKey of 3-[1-(3-methylbut-2-enyl)pyrrolidin-2-yl]propan-1-ol?
The InChIKey is CFTNNILRVDCRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-11(2)7-9-13-8-3-5-12(13)6-4-10-14/h7,12,14H,3-6,8-10H2,1-2H3.
What are the key properties of 3-[1-(3-methylbut-2-enyl)pyrrolidin-2-yl]propan-1-ol?
3-[1-(3-methylbut-2-enyl)pyrrolidin-2-yl]propan-1-ol has a molecular weight of 197.32 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-methylbut-2-enyl)pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 62469058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).