(2S,3aS,7aS)-6-(cyclopropylmethyl)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine

C12H21NO — CID 97385072

IUPAC(2S,3aS,7aS)-6-(cyclopropylmethyl)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
SMILESC[C@H]1C[C@@H]2CCN(CC3CC3)C[C@H]2O1
InChIInChI=1S/C12H21NO/c1-9-6-11-4-5-13(7-10-2-3-10)8-12(11)14-9/h9-12H,2-8H2,1H3/t9-,11-,12+/m0/s1
InChIKeyUKCPWFRQZFUYFX-ZMLRMANQSA-N
MW195.31 g/mol
LogP1.90
Rot. Bonds2

About (2S,3aS,7aS)-6-(cyclopropylmethyl)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine

(2S,3aS,7aS)-6-(cyclopropylmethyl)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine (PubChem CID 97385072) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is (2S,3aS,7aS)-6-(cyclopropylmethyl)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine.

Molecular Properties

Compound Name(2S,3aS,7aS)-6-(cyclopropylmethyl)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
PubChem CID97385072
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name(2S,3aS,7aS)-6-(cyclopropylmethyl)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
SMILESC[C@H]1C[C@@H]2CCN(CC3CC3)C[C@H]2O1
InChIInChI=1S/C12H21NO/c1-9-6-11-4-5-13(7-10-2-3-10)8-12(11)14-9/h9-12H,2-8H2,1H3/t9-,11-,12+/m0/s1
InChIKeyUKCPWFRQZFUYFX-ZMLRMANQSA-N
XLogP1.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3aR,7aR)-6-(cyclopropylmethyl)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
CID 124811775
(2S,3aS,7aS)-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
CID 97369431
1-(cyclopropylmethyl)-3-methylpyrrolidine
CID 66698418
(2S,3aR,7aR)-6-(cyclopropylmethyl)-N-(oxan-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 124781569
(2S)-4-(cyclopropylmethyl)-2-methylmorpholine
CID 126997492
1-(cyclopropylmethyl)-4-methylpiperidine
CID 54039585
(3aS,7aS)-5-(cyclopropylmethyl)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine
CID 124910290
(3S,4S)-1-(cyclopropylmethyl)-3-iodo-4-methylpiperidine
CID 138739781
(2R,3aS,7aR)-6-(cyclopropylmethyl)-N-(furan-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97366977
(3S,5S)-1-(cyclopropylmethyl)-3,5-dimethylpiperidine
CID 134195604
3-methyl-1-[(4-methylcyclohexyl)methyl]-1,4-diazepane
CID 64951574
2-cyclopropyl-4-ethyl-6-methylmorpholine;hydrochloride
CID 166178219

Frequently Asked Questions

What is the IUPAC name of (2S,3aS,7aS)-6-(cyclopropylmethyl)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine?
The IUPAC name of (2S,3aS,7aS)-6-(cyclopropylmethyl)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine (CID 97385072) is (2S,3aS,7aS)-6-(cyclopropylmethyl)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine.
What is the SMILES notation for (2S,3aS,7aS)-6-(cyclopropylmethyl)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine?
The canonical SMILES for (2S,3aS,7aS)-6-(cyclopropylmethyl)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine is C[C@H]1C[C@@H]2CCN(CC3CC3)C[C@H]2O1.
What is the InChIKey of (2S,3aS,7aS)-6-(cyclopropylmethyl)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine?
The InChIKey is UKCPWFRQZFUYFX-ZMLRMANQSA-N. The full InChI is InChI=1S/C12H21NO/c1-9-6-11-4-5-13(7-10-2-3-10)8-12(11)14-9/h9-12H,2-8H2,1H3/t9-,11-,12+/m0/s1.
What are the key properties of (2S,3aS,7aS)-6-(cyclopropylmethyl)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine?
(2S,3aS,7aS)-6-(cyclopropylmethyl)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine has a molecular weight of 195.31 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3aS,7aS)-6-(cyclopropylmethyl)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine is sourced from PubChem (CID 97385072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).