(5R)-3-amino-5-(furan-2-yl)cyclohex-2-en-1-one

C10H11NO2 — CID 30033441

IUPAC(5R)-3-amino-5-(furan-2-yl)cyclohex-2-en-1-one
SMILESNC1=CC(=O)C[C@H](c2ccco2)C1
InChIInChI=1S/C10H11NO2/c11-8-4-7(5-9(12)6-8)10-2-1-3-13-10/h1-3,6-7H,4-5,11H2/t7-/m1/s1
InChIKeyGCCVDWMQBDFSNA-SSDOTTSWSA-N
MW177.20 g/mol
LogP1.57
Rot. Bonds1

About (5R)-3-amino-5-(furan-2-yl)cyclohex-2-en-1-one

(5R)-3-amino-5-(furan-2-yl)cyclohex-2-en-1-one (PubChem CID 30033441) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is (5R)-3-amino-5-(furan-2-yl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name(5R)-3-amino-5-(furan-2-yl)cyclohex-2-en-1-one
PubChem CID30033441
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name(5R)-3-amino-5-(furan-2-yl)cyclohex-2-en-1-one
SMILESNC1=CC(=O)C[C@H](c2ccco2)C1
InChIInChI=1S/C10H11NO2/c11-8-4-7(5-9(12)6-8)10-2-1-3-13-10/h1-3,6-7H,4-5,11H2/t7-/m1/s1
InChIKeyGCCVDWMQBDFSNA-SSDOTTSWSA-N
XLogP1.57
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-3-(3,5-dimethylanilino)-5-(furan-2-yl)cyclohex-2-en-1-one
CID 951276
3-(3,5-dimethylanilino)-5-(furan-2-yl)cyclohex-2-en-1-one
CID 3708096
(5R)-5-(furan-2-yl)-3-(4-methoxyanilino)cyclohex-2-en-1-one
CID 797847
(3S,4aR)-3-(furan-2-yl)-3,4,4a,5-tetrahydro-1H-cyclopenta[c]pyran-6-one
CID 15981595
2-(cyclopropanecarbonyl)-5-(furan-2-yl)cyclohexane-1,3-dione
CID 52950845
(4R)-4-(furan-2-yl)pyrrolidin-2-one
CID 94826830
3-(furan-2-yl)spiro[5.6]dodeca-8,10-diene-1,5-dione
CID 102347424
methyl (1R,6R)-4-amino-6-(furan-2-yl)-2-oxocyclohex-3-ene-1-carboxylate
CID 51970580
N'-[(5R)-5-(furan-2-yl)-3-oxocyclohexen-1-yl]pyridine-3-carbohydrazide
CID 797840
7-(furan-2-yl)-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridin-5-one
CID 5323919
[(Z)-[5-(furan-2-yl)-3-methylcyclohex-2-en-1-ylidene]amino]urea
CID 51055853
[(E)-[(5S)-5-(furan-2-yl)-3-methylcyclohex-2-en-1-ylidene]amino]urea
CID 39355292

Frequently Asked Questions

What is the IUPAC name of (5R)-3-amino-5-(furan-2-yl)cyclohex-2-en-1-one?
The IUPAC name of (5R)-3-amino-5-(furan-2-yl)cyclohex-2-en-1-one (CID 30033441) is (5R)-3-amino-5-(furan-2-yl)cyclohex-2-en-1-one.
What is the SMILES notation for (5R)-3-amino-5-(furan-2-yl)cyclohex-2-en-1-one?
The canonical SMILES for (5R)-3-amino-5-(furan-2-yl)cyclohex-2-en-1-one is NC1=CC(=O)C[C@H](c2ccco2)C1.
What is the InChIKey of (5R)-3-amino-5-(furan-2-yl)cyclohex-2-en-1-one?
The InChIKey is GCCVDWMQBDFSNA-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H11NO2/c11-8-4-7(5-9(12)6-8)10-2-1-3-13-10/h1-3,6-7H,4-5,11H2/t7-/m1/s1.
What are the key properties of (5R)-3-amino-5-(furan-2-yl)cyclohex-2-en-1-one?
(5R)-3-amino-5-(furan-2-yl)cyclohex-2-en-1-one has a molecular weight of 177.20 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-amino-5-(furan-2-yl)cyclohex-2-en-1-one is sourced from PubChem (CID 30033441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).