ethane;1-[(4-methylfuran-3-yl)amino]propan-2-one

C10H17NO2 — CID 143636996

IUPACethane;1-[(4-methylfuran-3-yl)amino]propan-2-one
SMILESCC.CC(=O)CNc1cocc1C
InChIInChI=1S/C8H11NO2.C2H6/c1-6-4-11-5-8(6)9-3-7(2)10;1-2/h4-5,9H,3H2,1-2H3;1-2H3
InChIKeyJKQIPGICDHPFSL-UHFFFAOYSA-N
MW183.25 g/mol
LogP2.62
Rot. Bonds3

About ethane;1-[(4-methylfuran-3-yl)amino]propan-2-one

ethane;1-[(4-methylfuran-3-yl)amino]propan-2-one (PubChem CID 143636996) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is ethane;1-[(4-methylfuran-3-yl)amino]propan-2-one.

Molecular Properties

Compound Nameethane;1-[(4-methylfuran-3-yl)amino]propan-2-one
PubChem CID143636996
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Nameethane;1-[(4-methylfuran-3-yl)amino]propan-2-one
SMILESCC.CC(=O)CNc1cocc1C
InChIInChI=1S/C8H11NO2.C2H6/c1-6-4-11-5-8(6)9-3-7(2)10;1-2/h4-5,9H,3H2,1-2H3;1-2H3
InChIKeyJKQIPGICDHPFSL-UHFFFAOYSA-N
XLogP2.62
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Furylaminobutyric acid
CID 68798095
N-(2-fluoroethyl)furan-3-amine
CID 140143628
Dihydrofuro[3,4-b]pyridine
CID 129795109
N-butylfuran-3-amine
CID 12009357
3-N,4-N-dimethylfuran-3,4-diamine
CID 21099945
N-methylfuran-3-amine
CID 21893625
N-but-3-enylfuran-3-amine
CID 22393549
N-(4-methylfuran-3-yl)formamide
CID 53641024
1-[(4-Tert-butylfuran-3-yl)amino]propan-2-one
CID 58759552
N'-(furan-3-yl)ethane-1,2-diamine
CID 59116159
N-(furan-3-yl)-2-methylprop-2-enamide
CID 59502709
1-(Furan-3-yl)-2-[(2-methylpropan-2-yl)oxymethyl]piperazine
CID 59674724

Frequently Asked Questions

What is the IUPAC name of ethane;1-[(4-methylfuran-3-yl)amino]propan-2-one?
The IUPAC name of ethane;1-[(4-methylfuran-3-yl)amino]propan-2-one (CID 143636996) is ethane;1-[(4-methylfuran-3-yl)amino]propan-2-one.
What is the SMILES notation for ethane;1-[(4-methylfuran-3-yl)amino]propan-2-one?
The canonical SMILES for ethane;1-[(4-methylfuran-3-yl)amino]propan-2-one is CC.CC(=O)CNc1cocc1C.
What is the InChIKey of ethane;1-[(4-methylfuran-3-yl)amino]propan-2-one?
The InChIKey is JKQIPGICDHPFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2.C2H6/c1-6-4-11-5-8(6)9-3-7(2)10;1-2/h4-5,9H,3H2,1-2H3;1-2H3.
What are the key properties of ethane;1-[(4-methylfuran-3-yl)amino]propan-2-one?
ethane;1-[(4-methylfuran-3-yl)amino]propan-2-one has a molecular weight of 183.25 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(4-methylfuran-3-yl)amino]propan-2-one is sourced from PubChem (CID 143636996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).