3-(4-methoxybutylamino)cyclopent-2-en-1-one

C10H17NO2 — CID 104788426

IUPAC3-(4-methoxybutylamino)cyclopent-2-en-1-one
SMILESCOCCCCNC1=CC(=O)CC1
InChIInChI=1S/C10H17NO2/c1-13-7-3-2-6-11-9-4-5-10(12)8-9/h8,11H,2-7H2,1H3
InChIKeyICKPAGVLQGQYLF-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.25
Rot. Bonds6

About 3-(4-methoxybutylamino)cyclopent-2-en-1-one

3-(4-methoxybutylamino)cyclopent-2-en-1-one (PubChem CID 104788426) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 3-(4-methoxybutylamino)cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-(4-methoxybutylamino)cyclopent-2-en-1-one
PubChem CID104788426
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name3-(4-methoxybutylamino)cyclopent-2-en-1-one
SMILESCOCCCCNC1=CC(=O)CC1
InChIInChI=1S/C10H17NO2/c1-13-7-3-2-6-11-9-4-5-10(12)8-9/h8,11H,2-7H2,1H3
InChIKeyICKPAGVLQGQYLF-UHFFFAOYSA-N
XLogP1.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(decylamino)cyclopent-2-en-1-one
CID 113453186
3-[4-(dimethylamino)butylamino]cyclopent-2-en-1-one
CID 104788444
3-(5,5,5-trifluoropentylamino)cyclopent-2-en-1-one
CID 104788656
3-[3-(diethylamino)propylamino]cyclopent-2-en-1-one
CID 104788205
3-(4-phenylselanylbutylamino)cyclopent-2-en-1-one
CID 11185906
3-[2-(3-methylphenoxy)ethylamino]cyclopent-2-en-1-one
CID 104788417
N-(2-methoxyethyl)-2-[(3-oxocyclopenten-1-yl)amino]propanamide
CID 104788694
4-(4-methoxybutylamino)benzoic acid
CID 62232205
3-[2-(dimethylamino)propylamino]cyclopent-2-en-1-one
CID 104788324
3-[(1-methylcyclopentyl)methylamino]cyclopent-2-en-1-one
CID 104788518
4-(6-methoxyhexylamino)phenol
CID 162494970
N-(4-methoxybutyl)aniline
CID 13042774

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxybutylamino)cyclopent-2-en-1-one?
The IUPAC name of 3-(4-methoxybutylamino)cyclopent-2-en-1-one (CID 104788426) is 3-(4-methoxybutylamino)cyclopent-2-en-1-one.
What is the SMILES notation for 3-(4-methoxybutylamino)cyclopent-2-en-1-one?
The canonical SMILES for 3-(4-methoxybutylamino)cyclopent-2-en-1-one is COCCCCNC1=CC(=O)CC1.
What is the InChIKey of 3-(4-methoxybutylamino)cyclopent-2-en-1-one?
The InChIKey is ICKPAGVLQGQYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-13-7-3-2-6-11-9-4-5-10(12)8-9/h8,11H,2-7H2,1H3.
What are the key properties of 3-(4-methoxybutylamino)cyclopent-2-en-1-one?
3-(4-methoxybutylamino)cyclopent-2-en-1-one has a molecular weight of 183.25 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxybutylamino)cyclopent-2-en-1-one is sourced from PubChem (CID 104788426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).