2-(3,3-dimethyl-2H-furan-2-yl)pyrrolidine

C10H17NO — CID 167496658

IUPAC2-(3,3-dimethyl-2H-furan-2-yl)pyrrolidine
SMILESCC1(C)C=COC1C1CCCN1
InChIInChI=1S/C10H17NO/c1-10(2)5-7-12-9(10)8-4-3-6-11-8/h5,7-9,11H,3-4,6H2,1-2H3
InChIKeyQYHMEIKUWDONBB-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.68
Rot. Bonds1

About 2-(3,3-dimethyl-2H-furan-2-yl)pyrrolidine

2-(3,3-dimethyl-2H-furan-2-yl)pyrrolidine (PubChem CID 167496658) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 2-(3,3-dimethyl-2H-furan-2-yl)pyrrolidine.

Molecular Properties

Compound Name2-(3,3-dimethyl-2H-furan-2-yl)pyrrolidine
PubChem CID167496658
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name2-(3,3-dimethyl-2H-furan-2-yl)pyrrolidine
SMILESCC1(C)C=COC1C1CCCN1
InChIInChI=1S/C10H17NO/c1-10(2)5-7-12-9(10)8-4-3-6-11-8/h5,7-9,11H,3-4,6H2,1-2H3
InChIKeyQYHMEIKUWDONBB-UHFFFAOYSA-N
XLogP1.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-Methoxy-2-methylbut-3-enyl)pyrrolidine
CID 123194034
(2S)-2-[(1R,2S)-1-methoxy-2-methylbut-3-enyl]pyrrolidine
CID 141373569
2-[(1R,2S)-2-ethenyl-1-methoxy-3-methylbut-3-enyl]pyrrolidine
CID 163459687
N-ethyl-3-methoxy-2,2-dimethyloct-7-en-4-amine
CID 116724835
3-methoxy-2,2-dimethyl-N-propyloct-7-en-4-amine
CID 116725075

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethyl-2H-furan-2-yl)pyrrolidine?
The IUPAC name of 2-(3,3-dimethyl-2H-furan-2-yl)pyrrolidine (CID 167496658) is 2-(3,3-dimethyl-2H-furan-2-yl)pyrrolidine.
What is the SMILES notation for 2-(3,3-dimethyl-2H-furan-2-yl)pyrrolidine?
The canonical SMILES for 2-(3,3-dimethyl-2H-furan-2-yl)pyrrolidine is CC1(C)C=COC1C1CCCN1.
What is the InChIKey of 2-(3,3-dimethyl-2H-furan-2-yl)pyrrolidine?
The InChIKey is QYHMEIKUWDONBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-10(2)5-7-12-9(10)8-4-3-6-11-8/h5,7-9,11H,3-4,6H2,1-2H3.
What are the key properties of 2-(3,3-dimethyl-2H-furan-2-yl)pyrrolidine?
2-(3,3-dimethyl-2H-furan-2-yl)pyrrolidine has a molecular weight of 167.25 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethyl-2H-furan-2-yl)pyrrolidine is sourced from PubChem (CID 167496658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).