1-[5-(aminomethyl)furan-2-yl]-4-(oxolan-2-yl)butan-1-one

C13H19NO3 — CID 116590164

IUPAC1-[5-(aminomethyl)furan-2-yl]-4-(oxolan-2-yl)butan-1-one
SMILESNCc1ccc(C(=O)CCCC2CCCO2)o1
InChIInChI=1S/C13H19NO3/c14-9-11-6-7-13(17-11)12(15)5-1-3-10-4-2-8-16-10/h6-7,10H,1-5,8-9,14H2
InChIKeyCVJJJDDLBWCKIR-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.27
Rot. Bonds6

About 1-[5-(aminomethyl)furan-2-yl]-4-(oxolan-2-yl)butan-1-one

1-[5-(aminomethyl)furan-2-yl]-4-(oxolan-2-yl)butan-1-one (PubChem CID 116590164) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-[5-(aminomethyl)furan-2-yl]-4-(oxolan-2-yl)butan-1-one.

Molecular Properties

Compound Name1-[5-(aminomethyl)furan-2-yl]-4-(oxolan-2-yl)butan-1-one
PubChem CID116590164
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name1-[5-(aminomethyl)furan-2-yl]-4-(oxolan-2-yl)butan-1-one
SMILESNCc1ccc(C(=O)CCCC2CCCO2)o1
InChIInChI=1S/C13H19NO3/c14-9-11-6-7-13(17-11)12(15)5-1-3-10-4-2-8-16-10/h6-7,10H,1-5,8-9,14H2
InChIKeyCVJJJDDLBWCKIR-UHFFFAOYSA-N
XLogP2.27
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[5-(aminomethyl)furan-2-yl]-4-(oxolan-2-yl)butan-1-one with MolForge

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Related Compounds

1-(2-aminophenyl)-4-(oxolan-2-yl)butan-1-one
CID 65166956
5-[3-(oxan-2-yl)propanoyl]furan-2-carboxylic acid
CID 106946697
1-(2-chlorofuran-3-yl)-4-(oxolan-2-yl)butan-1-one
CID 106691075
1-(2-bromofuran-3-yl)-4-(oxolan-2-yl)butan-1-one
CID 106856675
1-(4-amino-3,5-dichlorophenyl)-4-(oxolan-2-yl)butan-1-one
CID 116609950
1-(3-chloro-4-methylphenyl)-4-(oxolan-2-yl)butan-1-one
CID 114976767
1-(2,3-difluorophenyl)-4-(oxolan-2-yl)butan-1-one
CID 114976662
1-(3,4-dichlorophenyl)-5-(oxolan-2-yl)pentan-2-one
CID 65167105
5-[[2-(oxolan-2-yl)ethylamino]methyl]furan-2-carboxylic acid
CID 63317293
5-(oxolan-2-yl)pentanamide
CID 67128385
1-cyclohexylidene-5-(oxolan-2-yl)pentan-2-one
CID 103458002
N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 65158366

Frequently Asked Questions

What is the IUPAC name of 1-[5-(aminomethyl)furan-2-yl]-4-(oxolan-2-yl)butan-1-one?
The IUPAC name of 1-[5-(aminomethyl)furan-2-yl]-4-(oxolan-2-yl)butan-1-one (CID 116590164) is 1-[5-(aminomethyl)furan-2-yl]-4-(oxolan-2-yl)butan-1-one.
What is the SMILES notation for 1-[5-(aminomethyl)furan-2-yl]-4-(oxolan-2-yl)butan-1-one?
The canonical SMILES for 1-[5-(aminomethyl)furan-2-yl]-4-(oxolan-2-yl)butan-1-one is NCc1ccc(C(=O)CCCC2CCCO2)o1.
What is the InChIKey of 1-[5-(aminomethyl)furan-2-yl]-4-(oxolan-2-yl)butan-1-one?
The InChIKey is CVJJJDDLBWCKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c14-9-11-6-7-13(17-11)12(15)5-1-3-10-4-2-8-16-10/h6-7,10H,1-5,8-9,14H2.
What are the key properties of 1-[5-(aminomethyl)furan-2-yl]-4-(oxolan-2-yl)butan-1-one?
1-[5-(aminomethyl)furan-2-yl]-4-(oxolan-2-yl)butan-1-one has a molecular weight of 237.30 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(aminomethyl)furan-2-yl]-4-(oxolan-2-yl)butan-1-one is sourced from PubChem (CID 116590164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).