(3-propan-2-ylfuran-2-yl)-(4-pyrrolidin-1-ylazepan-1-yl)methanone

C18H28N2O2 — CID 136541221

IUPAC(3-propan-2-ylfuran-2-yl)-(4-pyrrolidin-1-ylazepan-1-yl)methanone
SMILESCC(C)c1ccoc1C(=O)N1CCCC(N2CCCC2)CC1
InChIInChI=1S/C18H28N2O2/c1-14(2)16-8-13-22-17(16)18(21)20-11-5-6-15(7-12-20)19-9-3-4-10-19/h8,13-15H,3-7,9-12H2,1-2H3
InChIKeyFLOFCVYBDIUUPR-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.49
Rot. Bonds3

About (3-propan-2-ylfuran-2-yl)-(4-pyrrolidin-1-ylazepan-1-yl)methanone

(3-propan-2-ylfuran-2-yl)-(4-pyrrolidin-1-ylazepan-1-yl)methanone (PubChem CID 136541221) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is (3-propan-2-ylfuran-2-yl)-(4-pyrrolidin-1-ylazepan-1-yl)methanone.

Molecular Properties

Compound Name(3-propan-2-ylfuran-2-yl)-(4-pyrrolidin-1-ylazepan-1-yl)methanone
PubChem CID136541221
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name(3-propan-2-ylfuran-2-yl)-(4-pyrrolidin-1-ylazepan-1-yl)methanone
SMILESCC(C)c1ccoc1C(=O)N1CCCC(N2CCCC2)CC1
InChIInChI=1S/C18H28N2O2/c1-14(2)16-8-13-22-17(16)18(21)20-11-5-6-15(7-12-20)19-9-3-4-10-19/h8,13-15H,3-7,9-12H2,1-2H3
InChIKeyFLOFCVYBDIUUPR-UHFFFAOYSA-N
XLogP3.49
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-propan-2-ylfuran-2-yl)-(4-pyrrolidin-1-ylazepan-1-yl)methanone?
The IUPAC name of (3-propan-2-ylfuran-2-yl)-(4-pyrrolidin-1-ylazepan-1-yl)methanone (CID 136541221) is (3-propan-2-ylfuran-2-yl)-(4-pyrrolidin-1-ylazepan-1-yl)methanone.
What is the SMILES notation for (3-propan-2-ylfuran-2-yl)-(4-pyrrolidin-1-ylazepan-1-yl)methanone?
The canonical SMILES for (3-propan-2-ylfuran-2-yl)-(4-pyrrolidin-1-ylazepan-1-yl)methanone is CC(C)c1ccoc1C(=O)N1CCCC(N2CCCC2)CC1.
What is the InChIKey of (3-propan-2-ylfuran-2-yl)-(4-pyrrolidin-1-ylazepan-1-yl)methanone?
The InChIKey is FLOFCVYBDIUUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-14(2)16-8-13-22-17(16)18(21)20-11-5-6-15(7-12-20)19-9-3-4-10-19/h8,13-15H,3-7,9-12H2,1-2H3.
What are the key properties of (3-propan-2-ylfuran-2-yl)-(4-pyrrolidin-1-ylazepan-1-yl)methanone?
(3-propan-2-ylfuran-2-yl)-(4-pyrrolidin-1-ylazepan-1-yl)methanone has a molecular weight of 304.43 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propan-2-ylfuran-2-yl)-(4-pyrrolidin-1-ylazepan-1-yl)methanone is sourced from PubChem (CID 136541221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).