4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-2,2,5,5-tetramethyloxolan-3-ol

C16H29NO2 — CID 115562015

IUPAC4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-2,2,5,5-tetramethyloxolan-3-ol
SMILESCC1(C)OC(C)(C)C(CN2CC3CCCC3C2)C1O
InChIInChI=1S/C16H29NO2/c1-15(2)13(14(18)16(3,4)19-15)10-17-8-11-6-5-7-12(11)9-17/h11-14,18H,5-10H2,1-4H3
InChIKeyBLHYBKJLWATHTG-UHFFFAOYSA-N
MW267.41 g/mol
LogP2.28
Rot. Bonds2

About 4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-2,2,5,5-tetramethyloxolan-3-ol

4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-2,2,5,5-tetramethyloxolan-3-ol (PubChem CID 115562015) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-2,2,5,5-tetramethyloxolan-3-ol.

Molecular Properties

Compound Name4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-2,2,5,5-tetramethyloxolan-3-ol
PubChem CID115562015
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-2,2,5,5-tetramethyloxolan-3-ol
SMILESCC1(C)OC(C)(C)C(CN2CC3CCCC3C2)C1O
InChIInChI=1S/C16H29NO2/c1-15(2)13(14(18)16(3,4)19-15)10-17-8-11-6-5-7-12(11)9-17/h11-14,18H,5-10H2,1-4H3
InChIKeyBLHYBKJLWATHTG-UHFFFAOYSA-N
XLogP2.28
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-2,2,5,5-tetramethyloxolan-3-ol?
The IUPAC name of 4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-2,2,5,5-tetramethyloxolan-3-ol (CID 115562015) is 4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-2,2,5,5-tetramethyloxolan-3-ol.
What is the SMILES notation for 4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-2,2,5,5-tetramethyloxolan-3-ol?
The canonical SMILES for 4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-2,2,5,5-tetramethyloxolan-3-ol is CC1(C)OC(C)(C)C(CN2CC3CCCC3C2)C1O.
What is the InChIKey of 4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-2,2,5,5-tetramethyloxolan-3-ol?
The InChIKey is BLHYBKJLWATHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-15(2)13(14(18)16(3,4)19-15)10-17-8-11-6-5-7-12(11)9-17/h11-14,18H,5-10H2,1-4H3.
What are the key properties of 4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-2,2,5,5-tetramethyloxolan-3-ol?
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-2,2,5,5-tetramethyloxolan-3-ol has a molecular weight of 267.41 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-2,2,5,5-tetramethyloxolan-3-ol is sourced from PubChem (CID 115562015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).