(3aR,7aS)-5-cyclobutyl-3a-(cyclopropylmethoxymethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine

C16H27NO2 — CID 124791256

IUPAC(3aR,7aS)-5-cyclobutyl-3a-(cyclopropylmethoxymethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine
SMILESC1CC(N2CC[C@@H]3OCC[C@]3(COCC3CC3)C2)C1
InChIInChI=1S/C16H27NO2/c1-2-14(3-1)17-8-6-15-16(11-17,7-9-19-15)12-18-10-13-4-5-13/h13-15H,1-12H2/t15-,16+/m0/s1
InChIKeyMBHRJQATOPOUAY-JKSUJKDBSA-N
MW265.40 g/mol
LogP2.45
Rot. Bonds5

About (3aR,7aS)-5-cyclobutyl-3a-(cyclopropylmethoxymethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine

(3aR,7aS)-5-cyclobutyl-3a-(cyclopropylmethoxymethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine (PubChem CID 124791256) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is (3aR,7aS)-5-cyclobutyl-3a-(cyclopropylmethoxymethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine.

Molecular Properties

Compound Name(3aR,7aS)-5-cyclobutyl-3a-(cyclopropylmethoxymethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine
PubChem CID124791256
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name(3aR,7aS)-5-cyclobutyl-3a-(cyclopropylmethoxymethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine
SMILESC1CC(N2CC[C@@H]3OCC[C@]3(COCC3CC3)C2)C1
InChIInChI=1S/C16H27NO2/c1-2-14(3-1)17-8-6-15-16(11-17,7-9-19-15)12-18-10-13-4-5-13/h13-15H,1-12H2/t15-,16+/m0/s1
InChIKeyMBHRJQATOPOUAY-JKSUJKDBSA-N
XLogP2.45
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3aR,7aS)-5-cyclobutyl-3a-(cyclopropylmethoxymethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine?
The IUPAC name of (3aR,7aS)-5-cyclobutyl-3a-(cyclopropylmethoxymethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine (CID 124791256) is (3aR,7aS)-5-cyclobutyl-3a-(cyclopropylmethoxymethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine.
What is the SMILES notation for (3aR,7aS)-5-cyclobutyl-3a-(cyclopropylmethoxymethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine?
The canonical SMILES for (3aR,7aS)-5-cyclobutyl-3a-(cyclopropylmethoxymethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine is C1CC(N2CC[C@@H]3OCC[C@]3(COCC3CC3)C2)C1.
What is the InChIKey of (3aR,7aS)-5-cyclobutyl-3a-(cyclopropylmethoxymethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine?
The InChIKey is MBHRJQATOPOUAY-JKSUJKDBSA-N. The full InChI is InChI=1S/C16H27NO2/c1-2-14(3-1)17-8-6-15-16(11-17,7-9-19-15)12-18-10-13-4-5-13/h13-15H,1-12H2/t15-,16+/m0/s1.
What are the key properties of (3aR,7aS)-5-cyclobutyl-3a-(cyclopropylmethoxymethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine?
(3aR,7aS)-5-cyclobutyl-3a-(cyclopropylmethoxymethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine has a molecular weight of 265.40 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,7aS)-5-cyclobutyl-3a-(cyclopropylmethoxymethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine is sourced from PubChem (CID 124791256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).