(3aR,7aR)-5-(1-fluorocyclopropanecarbonyl)-N,N-dimethyl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide

C14H21FN2O3 — CID 131682959

IUPAC(3aR,7aR)-5-(1-fluorocyclopropanecarbonyl)-N,N-dimethyl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
SMILESCN(C)C(=O)[C@@]12CCO[C@@H]1CCN(C(=O)C1(F)CC1)C2
InChIInChI=1S/C14H21FN2O3/c1-16(2)11(18)13-6-8-20-10(13)3-7-17(9-13)12(19)14(15)4-5-14/h10H,3-9H2,1-2H3/t10-,13-/m1/s1
InChIKeyDMPLBSLGXIKVPA-ZWNOBZJWSA-N
MW284.33 g/mol
LogP0.58
Rot. Bonds2

About (3aR,7aR)-5-(1-fluorocyclopropanecarbonyl)-N,N-dimethyl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide

(3aR,7aR)-5-(1-fluorocyclopropanecarbonyl)-N,N-dimethyl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide (PubChem CID 131682959) has the molecular formula C14H21FN2O3 and a molecular weight of 284.33 g/mol. Its IUPAC name is (3aR,7aR)-5-(1-fluorocyclopropanecarbonyl)-N,N-dimethyl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide.

Molecular Properties

Compound Name(3aR,7aR)-5-(1-fluorocyclopropanecarbonyl)-N,N-dimethyl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
PubChem CID131682959
Molecular FormulaC14H21FN2O3
Molecular Weight284.33 g/mol
Exact Mass284.15
IUPAC Name(3aR,7aR)-5-(1-fluorocyclopropanecarbonyl)-N,N-dimethyl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
SMILESCN(C)C(=O)[C@@]12CCO[C@@H]1CCN(C(=O)C1(F)CC1)C2
InChIInChI=1S/C14H21FN2O3/c1-16(2)11(18)13-6-8-20-10(13)3-7-17(9-13)12(19)14(15)4-5-14/h10H,3-9H2,1-2H3/t10-,13-/m1/s1
InChIKeyDMPLBSLGXIKVPA-ZWNOBZJWSA-N
XLogP0.58
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3aR,7aR)-5-(1-fluorocyclopropanecarbonyl)-N,N-dimethyl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aR,7aR)-5-(1-fluorocyclopropanecarbonyl)-N,N-dimethyl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide?
The IUPAC name of (3aR,7aR)-5-(1-fluorocyclopropanecarbonyl)-N,N-dimethyl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide (CID 131682959) is (3aR,7aR)-5-(1-fluorocyclopropanecarbonyl)-N,N-dimethyl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide.
What is the SMILES notation for (3aR,7aR)-5-(1-fluorocyclopropanecarbonyl)-N,N-dimethyl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide?
The canonical SMILES for (3aR,7aR)-5-(1-fluorocyclopropanecarbonyl)-N,N-dimethyl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide is CN(C)C(=O)[C@@]12CCO[C@@H]1CCN(C(=O)C1(F)CC1)C2.
What is the InChIKey of (3aR,7aR)-5-(1-fluorocyclopropanecarbonyl)-N,N-dimethyl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide?
The InChIKey is DMPLBSLGXIKVPA-ZWNOBZJWSA-N. The full InChI is InChI=1S/C14H21FN2O3/c1-16(2)11(18)13-6-8-20-10(13)3-7-17(9-13)12(19)14(15)4-5-14/h10H,3-9H2,1-2H3/t10-,13-/m1/s1.
What are the key properties of (3aR,7aR)-5-(1-fluorocyclopropanecarbonyl)-N,N-dimethyl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide?
(3aR,7aR)-5-(1-fluorocyclopropanecarbonyl)-N,N-dimethyl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide has a molecular weight of 284.33 g/mol, XLogP of 0.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,7aR)-5-(1-fluorocyclopropanecarbonyl)-N,N-dimethyl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide is sourced from PubChem (CID 131682959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).