2-[(1S,5R)-3-(furan-2-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N-propan-2-ylacetamide

C15H22N2O2 — CID 98815635

IUPAC2-[(1S,5R)-3-(furan-2-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CC1[C@H]2CN(Cc3ccco3)C[C@@H]12
InChIInChI=1S/C15H22N2O2/c1-10(2)16-15(18)6-12-13-8-17(9-14(12)13)7-11-4-3-5-19-11/h3-5,10,12-14H,6-9H2,1-2H3,(H,16,18)/t12?,13-,14+
InChIKeyRZKASGRFIZPQBV-AGUYFDCRSA-N
MW262.35 g/mol
LogP1.87
Rot. Bonds5

About 2-[(1S,5R)-3-(furan-2-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N-propan-2-ylacetamide

2-[(1S,5R)-3-(furan-2-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N-propan-2-ylacetamide (PubChem CID 98815635) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-[(1S,5R)-3-(furan-2-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(1S,5R)-3-(furan-2-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N-propan-2-ylacetamide
PubChem CID98815635
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-[(1S,5R)-3-(furan-2-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CC1[C@H]2CN(Cc3ccco3)C[C@@H]12
InChIInChI=1S/C15H22N2O2/c1-10(2)16-15(18)6-12-13-8-17(9-14(12)13)7-11-4-3-5-19-11/h3-5,10,12-14H,6-9H2,1-2H3,(H,16,18)/t12?,13-,14+
InChIKeyRZKASGRFIZPQBV-AGUYFDCRSA-N
XLogP1.87
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1R,5S)-3-[(5-methylfuran-2-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-N-propan-2-ylacetamide;2,2,2-trifluoroacetic acid
CID 155852639
2-[1-(furan-2-ylmethyl)azetidin-3-yl]propanoic acid
CID 116683796
3-(furan-2-ylmethyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 115009587
2-[(4S)-1'-(furan-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N-propan-2-ylacetamide
CID 97376424
5-(furan-2-ylmethyl)-1-methyl-N-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide
CID 131658446
1-(furan-2-ylmethyl)pyrrolidine-3,4-diol
CID 106671878
(3R,4S)-1-(furan-2-ylmethyl)pyrrolidine-3,4-diol
CID 79420188
3-(furan-2-ylmethylamino)-N-propan-2-ylpropanamide
CID 60765510
[5-(carboxyamino)-1-(furan-2-ylmethyl)piperidin-3-yl]carbamic acid
CID 118541836
2-[(3aR,7S,7aS)-2-(furan-2-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-N-cyclopropylacetamide
CID 97379986
N-[4-(furan-2-yl)butan-2-yl]-2-(methylamino)acetamide
CID 61249906
2-[(3aR,7S,7aS)-2-(furan-2-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-1-pyrrolidin-1-ylethanone
CID 97379920

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,5R)-3-(furan-2-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(1S,5R)-3-(furan-2-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N-propan-2-ylacetamide (CID 98815635) is 2-[(1S,5R)-3-(furan-2-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(1S,5R)-3-(furan-2-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(1S,5R)-3-(furan-2-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)CC1[C@H]2CN(Cc3ccco3)C[C@@H]12.
What is the InChIKey of 2-[(1S,5R)-3-(furan-2-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N-propan-2-ylacetamide?
The InChIKey is RZKASGRFIZPQBV-AGUYFDCRSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10(2)16-15(18)6-12-13-8-17(9-14(12)13)7-11-4-3-5-19-11/h3-5,10,12-14H,6-9H2,1-2H3,(H,16,18)/t12?,13-,14+.
What are the key properties of 2-[(1S,5R)-3-(furan-2-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N-propan-2-ylacetamide?
2-[(1S,5R)-3-(furan-2-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N-propan-2-ylacetamide has a molecular weight of 262.35 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,5R)-3-(furan-2-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 98815635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).