(3R,4R)-4-(6-methyl-1,4-oxazepan-4-yl)pyrrolidin-3-ol

C10H20N2O2 — CID 122237207

IUPAC(3R,4R)-4-(6-methyl-1,4-oxazepan-4-yl)pyrrolidin-3-ol
SMILESCC1COCCN([C@@H]2CNC[C@H]2O)C1
InChIInChI=1S/C10H20N2O2/c1-8-6-12(2-3-14-7-8)9-4-11-5-10(9)13/h8-11,13H,2-7H2,1H3/t8?,9-,10-/m1/s1
InChIKeyXEOUQFRUXPTFPB-VXRWAFEHSA-N
MW200.28 g/mol
LogP-0.71
Rot. Bonds1

About (3R,4R)-4-(6-methyl-1,4-oxazepan-4-yl)pyrrolidin-3-ol

(3R,4R)-4-(6-methyl-1,4-oxazepan-4-yl)pyrrolidin-3-ol (PubChem CID 122237207) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is (3R,4R)-4-(6-methyl-1,4-oxazepan-4-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-(6-methyl-1,4-oxazepan-4-yl)pyrrolidin-3-ol
PubChem CID122237207
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name(3R,4R)-4-(6-methyl-1,4-oxazepan-4-yl)pyrrolidin-3-ol
SMILESCC1COCCN([C@@H]2CNC[C@H]2O)C1
InChIInChI=1S/C10H20N2O2/c1-8-6-12(2-3-14-7-8)9-4-11-5-10(9)13/h8-11,13H,2-7H2,1H3/t8?,9-,10-/m1/s1
InChIKeyXEOUQFRUXPTFPB-VXRWAFEHSA-N
XLogP-0.71
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(6-methyl-1,4-oxazepan-4-yl)pyrrolidin-3-ol?
The IUPAC name of (3R,4R)-4-(6-methyl-1,4-oxazepan-4-yl)pyrrolidin-3-ol (CID 122237207) is (3R,4R)-4-(6-methyl-1,4-oxazepan-4-yl)pyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-4-(6-methyl-1,4-oxazepan-4-yl)pyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-4-(6-methyl-1,4-oxazepan-4-yl)pyrrolidin-3-ol is CC1COCCN([C@@H]2CNC[C@H]2O)C1.
What is the InChIKey of (3R,4R)-4-(6-methyl-1,4-oxazepan-4-yl)pyrrolidin-3-ol?
The InChIKey is XEOUQFRUXPTFPB-VXRWAFEHSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-8-6-12(2-3-14-7-8)9-4-11-5-10(9)13/h8-11,13H,2-7H2,1H3/t8?,9-,10-/m1/s1.
What are the key properties of (3R,4R)-4-(6-methyl-1,4-oxazepan-4-yl)pyrrolidin-3-ol?
(3R,4R)-4-(6-methyl-1,4-oxazepan-4-yl)pyrrolidin-3-ol has a molecular weight of 200.28 g/mol, XLogP of -0.71, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(6-methyl-1,4-oxazepan-4-yl)pyrrolidin-3-ol is sourced from PubChem (CID 122237207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).