4-[(E)-3-(2,3-dihydro-1H-inden-2-yl)-3-hydroxyprop-1-enyl]-5-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-ol

C19H25NO3 — CID 20642500

IUPAC4-[(E)-3-(2,3-dihydro-1H-inden-2-yl)-3-hydroxyprop-1-enyl]-5-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-ol
SMILESCN1CC2OC(O)CC2C1/C=C/C(O)C1Cc2ccccc2C1
InChIInChI=1S/C19H25NO3/c1-20-11-18-15(10-19(22)23-18)16(20)6-7-17(21)14-8-12-4-2-3-5-13(12)9-14/h2-7,14-19,21-22H,8-11H2,1H3/b7-6+
InChIKeyNGIFGSGEGNIOTP-VOTSOKGWSA-N
MW315.41 g/mol
LogP1.36
Rot. Bonds3

About 4-[(E)-3-(2,3-dihydro-1H-inden-2-yl)-3-hydroxyprop-1-enyl]-5-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-ol

4-[(E)-3-(2,3-dihydro-1H-inden-2-yl)-3-hydroxyprop-1-enyl]-5-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-ol (PubChem CID 20642500) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is 4-[(E)-3-(2,3-dihydro-1H-inden-2-yl)-3-hydroxyprop-1-enyl]-5-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-ol.

Molecular Properties

Compound Name4-[(E)-3-(2,3-dihydro-1H-inden-2-yl)-3-hydroxyprop-1-enyl]-5-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-ol
PubChem CID20642500
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name4-[(E)-3-(2,3-dihydro-1H-inden-2-yl)-3-hydroxyprop-1-enyl]-5-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-ol
SMILESCN1CC2OC(O)CC2C1/C=C/C(O)C1Cc2ccccc2C1
InChIInChI=1S/C19H25NO3/c1-20-11-18-15(10-19(22)23-18)16(20)6-7-17(21)14-8-12-4-2-3-5-13(12)9-14/h2-7,14-19,21-22H,8-11H2,1H3/b7-6+
InChIKeyNGIFGSGEGNIOTP-VOTSOKGWSA-N
XLogP1.36
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-(2,3-dihydro-1H-inden-2-yl)-3-hydroxyprop-1-enyl]-5-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-ol?
The IUPAC name of 4-[(E)-3-(2,3-dihydro-1H-inden-2-yl)-3-hydroxyprop-1-enyl]-5-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-ol (CID 20642500) is 4-[(E)-3-(2,3-dihydro-1H-inden-2-yl)-3-hydroxyprop-1-enyl]-5-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-ol.
What is the SMILES notation for 4-[(E)-3-(2,3-dihydro-1H-inden-2-yl)-3-hydroxyprop-1-enyl]-5-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-ol?
The canonical SMILES for 4-[(E)-3-(2,3-dihydro-1H-inden-2-yl)-3-hydroxyprop-1-enyl]-5-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-ol is CN1CC2OC(O)CC2C1/C=C/C(O)C1Cc2ccccc2C1.
What is the InChIKey of 4-[(E)-3-(2,3-dihydro-1H-inden-2-yl)-3-hydroxyprop-1-enyl]-5-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-ol?
The InChIKey is NGIFGSGEGNIOTP-VOTSOKGWSA-N. The full InChI is InChI=1S/C19H25NO3/c1-20-11-18-15(10-19(22)23-18)16(20)6-7-17(21)14-8-12-4-2-3-5-13(12)9-14/h2-7,14-19,21-22H,8-11H2,1H3/b7-6+.
What are the key properties of 4-[(E)-3-(2,3-dihydro-1H-inden-2-yl)-3-hydroxyprop-1-enyl]-5-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-ol?
4-[(E)-3-(2,3-dihydro-1H-inden-2-yl)-3-hydroxyprop-1-enyl]-5-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-ol has a molecular weight of 315.41 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-(2,3-dihydro-1H-inden-2-yl)-3-hydroxyprop-1-enyl]-5-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-ol is sourced from PubChem (CID 20642500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).