(5E)-2-[(dimethylamino)methyl]-2-methyl-5-pentylidenecyclopentan-1-one

C14H25NO — CID 6311585

IUPAC(5E)-2-[(dimethylamino)methyl]-2-methyl-5-pentylidenecyclopentan-1-one
SMILESCCCC/C=C1\CCC(C)(CN(C)C)C1=O
InChIInChI=1S/C14H25NO/c1-5-6-7-8-12-9-10-14(2,13(12)16)11-15(3)4/h8H,5-7,9-11H2,1-4H3/b12-8+
InChIKeyDYXQPHYXWDVRGH-XYOKQWHBSA-N
MW223.36 g/mol
LogP3.03
Rot. Bonds5

About (5E)-2-[(dimethylamino)methyl]-2-methyl-5-pentylidenecyclopentan-1-one

(5E)-2-[(dimethylamino)methyl]-2-methyl-5-pentylidenecyclopentan-1-one (PubChem CID 6311585) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is (5E)-2-[(dimethylamino)methyl]-2-methyl-5-pentylidenecyclopentan-1-one.

Molecular Properties

Compound Name(5E)-2-[(dimethylamino)methyl]-2-methyl-5-pentylidenecyclopentan-1-one
PubChem CID6311585
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name(5E)-2-[(dimethylamino)methyl]-2-methyl-5-pentylidenecyclopentan-1-one
SMILESCCCC/C=C1\CCC(C)(CN(C)C)C1=O
InChIInChI=1S/C14H25NO/c1-5-6-7-8-12-9-10-14(2,13(12)16)11-15(3)4/h8H,5-7,9-11H2,1-4H3/b12-8+
InChIKeyDYXQPHYXWDVRGH-XYOKQWHBSA-N
XLogP3.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5E)-2-[(dimethylamino)methyl]-2-methyl-5-pentylidenecyclopentan-1-one?
The IUPAC name of (5E)-2-[(dimethylamino)methyl]-2-methyl-5-pentylidenecyclopentan-1-one (CID 6311585) is (5E)-2-[(dimethylamino)methyl]-2-methyl-5-pentylidenecyclopentan-1-one.
What is the SMILES notation for (5E)-2-[(dimethylamino)methyl]-2-methyl-5-pentylidenecyclopentan-1-one?
The canonical SMILES for (5E)-2-[(dimethylamino)methyl]-2-methyl-5-pentylidenecyclopentan-1-one is CCCC/C=C1\CCC(C)(CN(C)C)C1=O.
What is the InChIKey of (5E)-2-[(dimethylamino)methyl]-2-methyl-5-pentylidenecyclopentan-1-one?
The InChIKey is DYXQPHYXWDVRGH-XYOKQWHBSA-N. The full InChI is InChI=1S/C14H25NO/c1-5-6-7-8-12-9-10-14(2,13(12)16)11-15(3)4/h8H,5-7,9-11H2,1-4H3/b12-8+.
What are the key properties of (5E)-2-[(dimethylamino)methyl]-2-methyl-5-pentylidenecyclopentan-1-one?
(5E)-2-[(dimethylamino)methyl]-2-methyl-5-pentylidenecyclopentan-1-one has a molecular weight of 223.36 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-[(dimethylamino)methyl]-2-methyl-5-pentylidenecyclopentan-1-one is sourced from PubChem (CID 6311585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).