1-[2-(benzylamino)cyclopenten-1-yl]pentan-1-one

C17H23NO — CID 11334383

IUPAC1-[2-(benzylamino)cyclopenten-1-yl]pentan-1-one
SMILESCCCCC(=O)C1=C(NCc2ccccc2)CCC1
InChIInChI=1S/C17H23NO/c1-2-3-12-17(19)15-10-7-11-16(15)18-13-14-8-5-4-6-9-14/h4-6,8-9,18H,2-3,7,10-13H2,1H3
InChIKeyPKZQXZCLLLQKMS-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.97
Rot. Bonds7

About 1-[2-(benzylamino)cyclopenten-1-yl]pentan-1-one

1-[2-(benzylamino)cyclopenten-1-yl]pentan-1-one (PubChem CID 11334383) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-[2-(benzylamino)cyclopenten-1-yl]pentan-1-one.

Molecular Properties

Compound Name1-[2-(benzylamino)cyclopenten-1-yl]pentan-1-one
PubChem CID11334383
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name1-[2-(benzylamino)cyclopenten-1-yl]pentan-1-one
SMILESCCCCC(=O)C1=C(NCc2ccccc2)CCC1
InChIInChI=1S/C17H23NO/c1-2-3-12-17(19)15-10-7-11-16(15)18-13-14-8-5-4-6-9-14/h4-6,8-9,18H,2-3,7,10-13H2,1H3
InChIKeyPKZQXZCLLLQKMS-UHFFFAOYSA-N
XLogP3.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(benzylamino)cyclopenten-1-yl]pentan-1-one?
The IUPAC name of 1-[2-(benzylamino)cyclopenten-1-yl]pentan-1-one (CID 11334383) is 1-[2-(benzylamino)cyclopenten-1-yl]pentan-1-one.
What is the SMILES notation for 1-[2-(benzylamino)cyclopenten-1-yl]pentan-1-one?
The canonical SMILES for 1-[2-(benzylamino)cyclopenten-1-yl]pentan-1-one is CCCCC(=O)C1=C(NCc2ccccc2)CCC1.
What is the InChIKey of 1-[2-(benzylamino)cyclopenten-1-yl]pentan-1-one?
The InChIKey is PKZQXZCLLLQKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-2-3-12-17(19)15-10-7-11-16(15)18-13-14-8-5-4-6-9-14/h4-6,8-9,18H,2-3,7,10-13H2,1H3.
What are the key properties of 1-[2-(benzylamino)cyclopenten-1-yl]pentan-1-one?
1-[2-(benzylamino)cyclopenten-1-yl]pentan-1-one has a molecular weight of 257.38 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(benzylamino)cyclopenten-1-yl]pentan-1-one is sourced from PubChem (CID 11334383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).