(E)-3-[1-(furan-2-ylmethylamino)-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide

C17H18N2O3 — CID 58613666

IUPAC(E)-3-[1-(furan-2-ylmethylamino)-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1ccc2c(c1)CCC2NCc1ccco1)NO
InChIInChI=1S/C17H18N2O3/c20-17(19-21)8-4-12-3-6-15-13(10-12)5-7-16(15)18-11-14-2-1-9-22-14/h1-4,6,8-10,16,18,21H,5,7,11H2,(H,19,20)/b8-4+
InChIKeyIYQOOMGFORMCQT-XBXARRHUSA-N
MW298.34 g/mol
LogP2.58
Rot. Bonds5

About (E)-3-[1-(furan-2-ylmethylamino)-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide

(E)-3-[1-(furan-2-ylmethylamino)-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide (PubChem CID 58613666) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is (E)-3-[1-(furan-2-ylmethylamino)-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[1-(furan-2-ylmethylamino)-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide
PubChem CID58613666
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name(E)-3-[1-(furan-2-ylmethylamino)-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1ccc2c(c1)CCC2NCc1ccco1)NO
InChIInChI=1S/C17H18N2O3/c20-17(19-21)8-4-12-3-6-15-13(10-12)5-7-16(15)18-11-14-2-1-9-22-14/h1-4,6,8-10,16,18,21H,5,7,11H2,(H,19,20)/b8-4+
InChIKeyIYQOOMGFORMCQT-XBXARRHUSA-N
XLogP2.58
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-3-[1-[(5-chloro-1-benzothiophen-3-yl)methylamino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide
CID 58614389
(E)-3-[1-[2-(3,4-dimethylphenyl)ethylamino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide
CID 58614285
N-hydroxy-3-[(1R)-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 91259387
3-[1-[2-(benzotriazol-1-yl)ethylamino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide
CID 76838855
2-[[5-[3-(hydroxyamino)-3-oxoprop-1-enyl]-2,3-dihydro-1H-inden-1-yl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 76838437
(2S)-2-[[5-[3-(hydroxyamino)-3-oxoprop-1-enyl]-2,3-dihydro-1H-inden-1-yl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 91271906
2-[[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-2,3-dihydro-1H-inden-1-yl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 58614559
methyl 3-[1-[(5-methylpyrazin-2-yl)methylamino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate
CID 76837917
3-[1-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethylamino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide
CID 76838574
(2S)-2-[[5-[3-(hydroxyamino)-3-oxoprop-1-enyl]-2,3-dihydro-1H-inden-1-yl]amino]-3-(1H-indol-3-yl)propanamide
CID 90862319
(E)-3-[1-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-2,3-dihydro-1H-inden-5-yl]-N-(oxan-2-yloxy)prop-2-enamide
CID 155181037
(E)-N-hydroxy-3-[1-[[1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 58614321

Frequently Asked Questions

What is the IUPAC name of (E)-3-[1-(furan-2-ylmethylamino)-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[1-(furan-2-ylmethylamino)-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide (CID 58613666) is (E)-3-[1-(furan-2-ylmethylamino)-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[1-(furan-2-ylmethylamino)-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[1-(furan-2-ylmethylamino)-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide is O=C(/C=C/c1ccc2c(c1)CCC2NCc1ccco1)NO.
What is the InChIKey of (E)-3-[1-(furan-2-ylmethylamino)-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide?
The InChIKey is IYQOOMGFORMCQT-XBXARRHUSA-N. The full InChI is InChI=1S/C17H18N2O3/c20-17(19-21)8-4-12-3-6-15-13(10-12)5-7-16(15)18-11-14-2-1-9-22-14/h1-4,6,8-10,16,18,21H,5,7,11H2,(H,19,20)/b8-4+.
What are the key properties of (E)-3-[1-(furan-2-ylmethylamino)-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide?
(E)-3-[1-(furan-2-ylmethylamino)-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide has a molecular weight of 298.34 g/mol, XLogP of 2.58, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[1-(furan-2-ylmethylamino)-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 58613666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).