(6S)-4-iodo-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-6-amine

C6H11IN2O — CID 167224966

IUPAC(6S)-4-iodo-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-6-amine
SMILESN[C@H]1CN(I)C2CCOC21
InChIInChI=1S/C6H11IN2O/c7-9-3-4(8)6-5(9)1-2-10-6/h4-6H,1-3,8H2/t4-,5?,6?/m0/s1
InChIKeyHYSSJTSHCXQCMM-KXGSVCODSA-N
MW254.07 g/mol
LogP0.14
Rot. Bonds

About (6S)-4-iodo-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-6-amine

(6S)-4-iodo-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-6-amine (PubChem CID 167224966) has the molecular formula C6H11IN2O and a molecular weight of 254.07 g/mol. Its IUPAC name is (6S)-4-iodo-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-6-amine.

Molecular Properties

Compound Name(6S)-4-iodo-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-6-amine
PubChem CID167224966
Molecular FormulaC6H11IN2O
Molecular Weight254.07 g/mol
Exact Mass253.99
IUPAC Name(6S)-4-iodo-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-6-amine
SMILESN[C@H]1CN(I)C2CCOC21
InChIInChI=1S/C6H11IN2O/c7-9-3-4(8)6-5(9)1-2-10-6/h4-6H,1-3,8H2/t4-,5?,6?/m0/s1
InChIKeyHYSSJTSHCXQCMM-KXGSVCODSA-N
XLogP0.14
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.07
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6S)-4-iodo-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-6-amine?
The IUPAC name of (6S)-4-iodo-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-6-amine (CID 167224966) is (6S)-4-iodo-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-6-amine.
What is the SMILES notation for (6S)-4-iodo-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-6-amine?
The canonical SMILES for (6S)-4-iodo-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-6-amine is N[C@H]1CN(I)C2CCOC21.
What is the InChIKey of (6S)-4-iodo-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-6-amine?
The InChIKey is HYSSJTSHCXQCMM-KXGSVCODSA-N. The full InChI is InChI=1S/C6H11IN2O/c7-9-3-4(8)6-5(9)1-2-10-6/h4-6H,1-3,8H2/t4-,5?,6?/m0/s1.
What are the key properties of (6S)-4-iodo-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-6-amine?
(6S)-4-iodo-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-6-amine has a molecular weight of 254.07 g/mol, XLogP of 0.14, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-4-iodo-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-6-amine is sourced from PubChem (CID 167224966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).