1-(furan-3-ylmethyl)-2-propan-2-ylazetidine

C11H17NO — CID 127001213

IUPAC1-(furan-3-ylmethyl)-2-propan-2-ylazetidine
SMILESCC(C)C1CCN1Cc1ccoc1
InChIInChI=1S/C11H17NO/c1-9(2)11-3-5-12(11)7-10-4-6-13-8-10/h4,6,8-9,11H,3,5,7H2,1-2H3
InChIKeyTYOXGQOGYXOZCQ-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.51
Rot. Bonds3

About 1-(furan-3-ylmethyl)-2-propan-2-ylazetidine

1-(furan-3-ylmethyl)-2-propan-2-ylazetidine (PubChem CID 127001213) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 1-(furan-3-ylmethyl)-2-propan-2-ylazetidine.

Molecular Properties

Compound Name1-(furan-3-ylmethyl)-2-propan-2-ylazetidine
PubChem CID127001213
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name1-(furan-3-ylmethyl)-2-propan-2-ylazetidine
SMILESCC(C)C1CCN1Cc1ccoc1
InChIInChI=1S/C11H17NO/c1-9(2)11-3-5-12(11)7-10-4-6-13-8-10/h4,6,8-9,11H,3,5,7H2,1-2H3
InChIKeyTYOXGQOGYXOZCQ-UHFFFAOYSA-N
XLogP2.51
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(furan-3-ylmethyl)piperidin-2-yl]ethanol
CID 115882688
1-(furan-3-ylmethyl)-2-methylpiperidine
CID 131067183
(3aS,6aS)-1-(furan-3-ylmethyl)-4-methyl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one
CID 98819488
3-(furan-3-yl)-5-[(5-methyl-2-propan-2-ylazepan-1-yl)methyl]-1,2,4-oxadiazole
CID 86966615
(3aR,6aS)-4-(furan-3-ylmethyl)-1-(pyridin-3-ylmethyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole
CID 97378577
3-(furan-3-ylmethyl)-4-propan-2-ylcyclohex-2-en-1-one
CID 10798868
(3aR,6aS)-1-(furan-3-ylmethyl)-4-(pyridin-2-ylmethyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole
CID 124804817
1-(furan-3-ylmethyl)-4-propan-2-ylcyclohexan-1-amine
CID 83183625
1-(furan-3-ylmethyl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102677830
1-(furan-3-ylmethyl)-4-methylsulfonylpiperidine
CID 121183071
(1R,4S)-3-(furan-3-ylmethyl)-1-(hydroxymethyl)-4-propan-2-ylcyclohex-2-en-1-ol
CID 162845070
(4R,4aR,7aR)-6-(cyclopropylmethyl)-1-(furan-3-ylmethyl)-4-methoxy-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine
CID 124788912

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-ylmethyl)-2-propan-2-ylazetidine?
The IUPAC name of 1-(furan-3-ylmethyl)-2-propan-2-ylazetidine (CID 127001213) is 1-(furan-3-ylmethyl)-2-propan-2-ylazetidine.
What is the SMILES notation for 1-(furan-3-ylmethyl)-2-propan-2-ylazetidine?
The canonical SMILES for 1-(furan-3-ylmethyl)-2-propan-2-ylazetidine is CC(C)C1CCN1Cc1ccoc1.
What is the InChIKey of 1-(furan-3-ylmethyl)-2-propan-2-ylazetidine?
The InChIKey is TYOXGQOGYXOZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-9(2)11-3-5-12(11)7-10-4-6-13-8-10/h4,6,8-9,11H,3,5,7H2,1-2H3.
What are the key properties of 1-(furan-3-ylmethyl)-2-propan-2-ylazetidine?
1-(furan-3-ylmethyl)-2-propan-2-ylazetidine has a molecular weight of 179.26 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-ylmethyl)-2-propan-2-ylazetidine is sourced from PubChem (CID 127001213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).