[5-(aminomethyl)furan-2-yl]-(2,3-dihydro-1H-inden-5-yl)methanone

C15H15NO2 — CID 82084675

IUPAC[5-(aminomethyl)furan-2-yl]-(2,3-dihydro-1H-inden-5-yl)methanone
SMILESNCc1ccc(C(=O)c2ccc3c(c2)CCC3)o1
InChIInChI=1S/C15H15NO2/c16-9-13-6-7-14(18-13)15(17)12-5-4-10-2-1-3-11(10)8-12/h4-8H,1-3,9,16H2
InChIKeyMFCYHLUYTKDXFG-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.46
Rot. Bonds3

About [5-(aminomethyl)furan-2-yl]-(2,3-dihydro-1H-inden-5-yl)methanone

[5-(aminomethyl)furan-2-yl]-(2,3-dihydro-1H-inden-5-yl)methanone (PubChem CID 82084675) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is [5-(aminomethyl)furan-2-yl]-(2,3-dihydro-1H-inden-5-yl)methanone.

Molecular Properties

Compound Name[5-(aminomethyl)furan-2-yl]-(2,3-dihydro-1H-inden-5-yl)methanone
PubChem CID82084675
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name[5-(aminomethyl)furan-2-yl]-(2,3-dihydro-1H-inden-5-yl)methanone
SMILESNCc1ccc(C(=O)c2ccc3c(c2)CCC3)o1
InChIInChI=1S/C15H15NO2/c16-9-13-6-7-14(18-13)15(17)12-5-4-10-2-1-3-11(10)8-12/h4-8H,1-3,9,16H2
InChIKeyMFCYHLUYTKDXFG-UHFFFAOYSA-N
XLogP2.46
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(aminomethyl)furan-2-yl]-(4-propan-2-ylphenyl)methanone
CID 82085122
5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 25958
5,6,7,8-tetrahydronaphthalene-2-carbonyloxymethyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 118313504
4-amino-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-one
CID 82341441
5,6,7,8-tetrahydronaphthalen-2-ylmethanamine;hydrochloride
CID 18993882
2-(5,6,7,8-tetrahydronaphthalen-2-yl)prop-2-en-1-amine
CID 82504394
(3,5-dibromophenyl)-(2,3-dihydro-1H-inden-5-yl)methanone
CID 107979596
2,3-dihydro-1H-inden-5-yl(naphthalen-2-yl)methanone
CID 43338934
(3-amino-2,5-difluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanone
CID 107123674
5,6,7,8,9,10,11,12-octahydrobenzo[10]annulene-3-carboxylic acid
CID 163567467
5-(aminomethyl)-N-(2,3-dihydro-1H-inden-5-yl)furan-2-sulfonamide
CID 106059570
N-[4-(aminomethyl)oxan-4-yl]-2,3-dihydro-1H-indene-5-carboxamide
CID 106297138

Frequently Asked Questions

What is the IUPAC name of [5-(aminomethyl)furan-2-yl]-(2,3-dihydro-1H-inden-5-yl)methanone?
The IUPAC name of [5-(aminomethyl)furan-2-yl]-(2,3-dihydro-1H-inden-5-yl)methanone (CID 82084675) is [5-(aminomethyl)furan-2-yl]-(2,3-dihydro-1H-inden-5-yl)methanone.
What is the SMILES notation for [5-(aminomethyl)furan-2-yl]-(2,3-dihydro-1H-inden-5-yl)methanone?
The canonical SMILES for [5-(aminomethyl)furan-2-yl]-(2,3-dihydro-1H-inden-5-yl)methanone is NCc1ccc(C(=O)c2ccc3c(c2)CCC3)o1.
What is the InChIKey of [5-(aminomethyl)furan-2-yl]-(2,3-dihydro-1H-inden-5-yl)methanone?
The InChIKey is MFCYHLUYTKDXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c16-9-13-6-7-14(18-13)15(17)12-5-4-10-2-1-3-11(10)8-12/h4-8H,1-3,9,16H2.
What are the key properties of [5-(aminomethyl)furan-2-yl]-(2,3-dihydro-1H-inden-5-yl)methanone?
[5-(aminomethyl)furan-2-yl]-(2,3-dihydro-1H-inden-5-yl)methanone has a molecular weight of 241.29 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(aminomethyl)furan-2-yl]-(2,3-dihydro-1H-inden-5-yl)methanone is sourced from PubChem (CID 82084675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).