(2S)-2-[(2S)-butan-2-yl]-3-oxo-2,4-dihydro-1H-furo[2,3-b]pyrazine-6-carbaldehyde

C11H14N2O3 — CID 82375647

IUPAC(2S)-2-[(2S)-butan-2-yl]-3-oxo-2,4-dihydro-1H-furo[2,3-b]pyrazine-6-carbaldehyde
SMILESCC[C@H](C)[C@@H]1Nc2cc(C=O)oc2NC1=O
InChIInChI=1S/C11H14N2O3/c1-3-6(2)9-10(15)13-11-8(12-9)4-7(5-14)16-11/h4-6,9,12H,3H2,1-2H3,(H,13,15)/t6-,9-/m0/s1
InChIKeyOIWQDVGDUASFRA-RCOVLWMOSA-N
MW222.24 g/mol
LogP1.87
Rot. Bonds3

About (2S)-2-[(2S)-butan-2-yl]-3-oxo-2,4-dihydro-1H-furo[2,3-b]pyrazine-6-carbaldehyde

(2S)-2-[(2S)-butan-2-yl]-3-oxo-2,4-dihydro-1H-furo[2,3-b]pyrazine-6-carbaldehyde (PubChem CID 82375647) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is (2S)-2-[(2S)-butan-2-yl]-3-oxo-2,4-dihydro-1H-furo[2,3-b]pyrazine-6-carbaldehyde.

Molecular Properties

Compound Name(2S)-2-[(2S)-butan-2-yl]-3-oxo-2,4-dihydro-1H-furo[2,3-b]pyrazine-6-carbaldehyde
PubChem CID82375647
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name(2S)-2-[(2S)-butan-2-yl]-3-oxo-2,4-dihydro-1H-furo[2,3-b]pyrazine-6-carbaldehyde
SMILESCC[C@H](C)[C@@H]1Nc2cc(C=O)oc2NC1=O
InChIInChI=1S/C11H14N2O3/c1-3-6(2)9-10(15)13-11-8(12-9)4-7(5-14)16-11/h4-6,9,12H,3H2,1-2H3,(H,13,15)/t6-,9-/m0/s1
InChIKeyOIWQDVGDUASFRA-RCOVLWMOSA-N
XLogP1.87
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze (2S)-2-[(2S)-butan-2-yl]-3-oxo-2,4-dihydro-1H-furo[2,3-b]pyrazine-6-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-oxo-2-(trifluoromethyl)-2,4-dihydro-1H-furo[3,4-b]pyrazine-7-carbaldehyde
CID 82375655
3-oxo-2-(trifluoromethyl)-2,4-dihydro-1H-furo[3,4-b]pyrazine-5-carbaldehyde
CID 82375662
5-[(2-Methoxyethylamino)methyl]-3-(4-propan-2-ylpiperazin-1-yl)furan-2-carbaldehyde
CID 140093122
3-[7-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-3-oxo-1,2-dihydrofuro[2,3-b]pyrazin-4-yl]piperidine-2,6-dione
CID 170614961
5-(2-Methyl-3-oxopiperazin-1-yl)furan-2-carbaldehyde
CID 63595457
5-(2,2-Dimethyl-3-oxopiperazin-1-yl)furan-2-carbaldehyde
CID 63597220
5-(2-Ethyl-3-oxopiperazin-1-yl)furan-2-carbaldehyde
CID 63601483
5-(2-Methyl-3,5-dioxopiperazin-1-yl)furan-2-carbaldehyde
CID 66060783
5-(2-Ethyl-3,5-dioxopiperazin-1-yl)furan-2-carbaldehyde
CID 66069489
6-(Ethylamino)furo[3,2-d]pyrimidine-2,4(1H,3H)-dione
CID 71334462
(2R)-2-(2-methylpropyl)-3-oxo-2,4-dihydro-1H-furo[3,4-b]pyrazine-7-carboxylic acid
CID 82375633
(2S)-2-[(2S)-butan-2-yl]-3-oxo-2,4-dihydro-1H-furo[3,4-b]pyrazine-7-carboxylic acid
CID 82375634

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2S)-butan-2-yl]-3-oxo-2,4-dihydro-1H-furo[2,3-b]pyrazine-6-carbaldehyde?
The IUPAC name of (2S)-2-[(2S)-butan-2-yl]-3-oxo-2,4-dihydro-1H-furo[2,3-b]pyrazine-6-carbaldehyde (CID 82375647) is (2S)-2-[(2S)-butan-2-yl]-3-oxo-2,4-dihydro-1H-furo[2,3-b]pyrazine-6-carbaldehyde.
What is the SMILES notation for (2S)-2-[(2S)-butan-2-yl]-3-oxo-2,4-dihydro-1H-furo[2,3-b]pyrazine-6-carbaldehyde?
The canonical SMILES for (2S)-2-[(2S)-butan-2-yl]-3-oxo-2,4-dihydro-1H-furo[2,3-b]pyrazine-6-carbaldehyde is CC[C@H](C)[C@@H]1Nc2cc(C=O)oc2NC1=O.
What is the InChIKey of (2S)-2-[(2S)-butan-2-yl]-3-oxo-2,4-dihydro-1H-furo[2,3-b]pyrazine-6-carbaldehyde?
The InChIKey is OIWQDVGDUASFRA-RCOVLWMOSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-3-6(2)9-10(15)13-11-8(12-9)4-7(5-14)16-11/h4-6,9,12H,3H2,1-2H3,(H,13,15)/t6-,9-/m0/s1.
What are the key properties of (2S)-2-[(2S)-butan-2-yl]-3-oxo-2,4-dihydro-1H-furo[2,3-b]pyrazine-6-carbaldehyde?
(2S)-2-[(2S)-butan-2-yl]-3-oxo-2,4-dihydro-1H-furo[2,3-b]pyrazine-6-carbaldehyde has a molecular weight of 222.24 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2S)-butan-2-yl]-3-oxo-2,4-dihydro-1H-furo[2,3-b]pyrazine-6-carbaldehyde is sourced from PubChem (CID 82375647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).