(4S)-2,2-dimethyl-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]pyrrole-4,5-dicarbaldehyde

C10H15NO3 — CID 89147545

IUPAC(4S)-2,2-dimethyl-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]pyrrole-4,5-dicarbaldehyde
SMILESCC1(C)CC2C(CN(C=O)[C@@H]2C=O)O1
InChIInChI=1S/C10H15NO3/c1-10(2)3-7-8(5-12)11(6-13)4-9(7)14-10/h5-9H,3-4H2,1-2H3/t7?,8-,9?/m1/s1
InChIKeyPZLPSXHMSGLJII-QJAFJHJLSA-N
MW197.23 g/mol
LogP0.21
Rot. Bonds2

About (4S)-2,2-dimethyl-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]pyrrole-4,5-dicarbaldehyde

(4S)-2,2-dimethyl-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]pyrrole-4,5-dicarbaldehyde (PubChem CID 89147545) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is (4S)-2,2-dimethyl-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]pyrrole-4,5-dicarbaldehyde.

Molecular Properties

Compound Name(4S)-2,2-dimethyl-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]pyrrole-4,5-dicarbaldehyde
PubChem CID89147545
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name(4S)-2,2-dimethyl-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]pyrrole-4,5-dicarbaldehyde
SMILESCC1(C)CC2C(CN(C=O)[C@@H]2C=O)O1
InChIInChI=1S/C10H15NO3/c1-10(2)3-7-8(5-12)11(6-13)4-9(7)14-10/h5-9H,3-4H2,1-2H3/t7?,8-,9?/m1/s1
InChIKeyPZLPSXHMSGLJII-QJAFJHJLSA-N
XLogP0.21
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-2,2-dimethyl-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]pyrrole-4,5-dicarbaldehyde?
The IUPAC name of (4S)-2,2-dimethyl-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]pyrrole-4,5-dicarbaldehyde (CID 89147545) is (4S)-2,2-dimethyl-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]pyrrole-4,5-dicarbaldehyde.
What is the SMILES notation for (4S)-2,2-dimethyl-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]pyrrole-4,5-dicarbaldehyde?
The canonical SMILES for (4S)-2,2-dimethyl-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]pyrrole-4,5-dicarbaldehyde is CC1(C)CC2C(CN(C=O)[C@@H]2C=O)O1.
What is the InChIKey of (4S)-2,2-dimethyl-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]pyrrole-4,5-dicarbaldehyde?
The InChIKey is PZLPSXHMSGLJII-QJAFJHJLSA-N. The full InChI is InChI=1S/C10H15NO3/c1-10(2)3-7-8(5-12)11(6-13)4-9(7)14-10/h5-9H,3-4H2,1-2H3/t7?,8-,9?/m1/s1.
What are the key properties of (4S)-2,2-dimethyl-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]pyrrole-4,5-dicarbaldehyde?
(4S)-2,2-dimethyl-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]pyrrole-4,5-dicarbaldehyde has a molecular weight of 197.23 g/mol, XLogP of 0.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2,2-dimethyl-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]pyrrole-4,5-dicarbaldehyde is sourced from PubChem (CID 89147545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).