3-[(cyclopentylamino)methyl]-3H-furan-2-one

C10H15NO2 — CID 68737930

IUPAC3-[(cyclopentylamino)methyl]-3H-furan-2-one
SMILESO=C1OC=CC1CNC1CCCC1
InChIInChI=1S/C10H15NO2/c12-10-8(5-6-13-10)7-11-9-3-1-2-4-9/h5-6,8-9,11H,1-4,7H2
InChIKeyUWBDHLLRJLWHGW-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.21
Rot. Bonds3

About 3-[(cyclopentylamino)methyl]-3H-furan-2-one

3-[(cyclopentylamino)methyl]-3H-furan-2-one (PubChem CID 68737930) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol. Its IUPAC name is 3-[(cyclopentylamino)methyl]-3H-furan-2-one.

Molecular Properties

Compound Name3-[(cyclopentylamino)methyl]-3H-furan-2-one
PubChem CID68737930
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC Name3-[(cyclopentylamino)methyl]-3H-furan-2-one
SMILESO=C1OC=CC1CNC1CCCC1
InChIInChI=1S/C10H15NO2/c12-10-8(5-6-13-10)7-11-9-3-1-2-4-9/h5-6,8-9,11H,1-4,7H2
InChIKeyUWBDHLLRJLWHGW-UHFFFAOYSA-N
XLogP1.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(cyclopentylamino)methyl]-3H-furan-2-one?
The IUPAC name of 3-[(cyclopentylamino)methyl]-3H-furan-2-one (CID 68737930) is 3-[(cyclopentylamino)methyl]-3H-furan-2-one.
What is the SMILES notation for 3-[(cyclopentylamino)methyl]-3H-furan-2-one?
The canonical SMILES for 3-[(cyclopentylamino)methyl]-3H-furan-2-one is O=C1OC=CC1CNC1CCCC1.
What is the InChIKey of 3-[(cyclopentylamino)methyl]-3H-furan-2-one?
The InChIKey is UWBDHLLRJLWHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c12-10-8(5-6-13-10)7-11-9-3-1-2-4-9/h5-6,8-9,11H,1-4,7H2.
What are the key properties of 3-[(cyclopentylamino)methyl]-3H-furan-2-one?
3-[(cyclopentylamino)methyl]-3H-furan-2-one has a molecular weight of 181.24 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(cyclopentylamino)methyl]-3H-furan-2-one is sourced from PubChem (CID 68737930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).