1-[5-(aminomethyl)furan-2-yl]-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one

C16H17NO3 — CID 116590101

IUPAC1-[5-(aminomethyl)furan-2-yl]-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one
SMILESNCc1ccc(C(=O)CCc2ccc3c(c2)CCO3)o1
InChIInChI=1S/C16H17NO3/c17-10-13-3-6-16(20-13)14(18)4-1-11-2-5-15-12(9-11)7-8-19-15/h2-3,5-6,9H,1,4,7-8,10,17H2
InChIKeyZGRWSQSCFYJHNQ-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.49
Rot. Bonds5

About 1-[5-(aminomethyl)furan-2-yl]-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one

1-[5-(aminomethyl)furan-2-yl]-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one (PubChem CID 116590101) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-[5-(aminomethyl)furan-2-yl]-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one.

Molecular Properties

Compound Name1-[5-(aminomethyl)furan-2-yl]-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one
PubChem CID116590101
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name1-[5-(aminomethyl)furan-2-yl]-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one
SMILESNCc1ccc(C(=O)CCc2ccc3c(c2)CCO3)o1
InChIInChI=1S/C16H17NO3/c17-10-13-3-6-16(20-13)14(18)4-1-11-2-5-15-12(9-11)7-8-19-15/h2-3,5-6,9H,1,4,7-8,10,17H2
InChIKeyZGRWSQSCFYJHNQ-UHFFFAOYSA-N
XLogP2.49
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclopenten-1-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one
CID 103447993
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(furan-3-yl)propan-1-one
CID 65444924
1-(2,5-dibromothiophen-3-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one
CID 107967603
4-amino-1-(2,3-dihydro-1-benzofuran-5-yl)pentan-3-one
CID 116551761
1-(2-bromophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one
CID 65447195
1-(5-amino-2-bromophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one
CID 116602879
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-iodophenyl)propan-1-one
CID 114974271
3-(2,3-dihydro-1-benzofuran-5-yl)-1-pyridin-2-ylpropan-1-one
CID 65446245
1-(2,3-dihydro-1-benzofuran-5-yl)-4-(dimethylamino)-4-methylpentan-3-one
CID 79047128
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-methylsulfanylphenyl)propan-1-one
CID 114974257
3-(2,3-dihydro-1-benzofuran-5-yl)-N,N-diphenylpropanamide
CID 154932181
1-(2,3-dihydro-1-benzofuran-5-yl)-5-methylhex-4-en-3-one
CID 103455479

Frequently Asked Questions

What is the IUPAC name of 1-[5-(aminomethyl)furan-2-yl]-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one?
The IUPAC name of 1-[5-(aminomethyl)furan-2-yl]-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one (CID 116590101) is 1-[5-(aminomethyl)furan-2-yl]-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one.
What is the SMILES notation for 1-[5-(aminomethyl)furan-2-yl]-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one?
The canonical SMILES for 1-[5-(aminomethyl)furan-2-yl]-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one is NCc1ccc(C(=O)CCc2ccc3c(c2)CCO3)o1.
What is the InChIKey of 1-[5-(aminomethyl)furan-2-yl]-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one?
The InChIKey is ZGRWSQSCFYJHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c17-10-13-3-6-16(20-13)14(18)4-1-11-2-5-15-12(9-11)7-8-19-15/h2-3,5-6,9H,1,4,7-8,10,17H2.
What are the key properties of 1-[5-(aminomethyl)furan-2-yl]-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one?
1-[5-(aminomethyl)furan-2-yl]-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one has a molecular weight of 271.32 g/mol, XLogP of 2.49, 5 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]-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one is sourced from PubChem (CID 116590101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).