3-[ethyl(propyl)amino]cyclopent-2-en-1-one

C10H17NO — CID 104787696

IUPAC3-[ethyl(propyl)amino]cyclopent-2-en-1-one
SMILESCCCN(CC)C1=CC(=O)CC1
InChIInChI=1S/C10H17NO/c1-3-7-11(4-2)9-5-6-10(12)8-9/h8H,3-7H2,1-2H3
InChIKeyMOETYIDDYAUPMW-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.97
Rot. Bonds4

About 3-[ethyl(propyl)amino]cyclopent-2-en-1-one

3-[ethyl(propyl)amino]cyclopent-2-en-1-one (PubChem CID 104787696) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 3-[ethyl(propyl)amino]cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-[ethyl(propyl)amino]cyclopent-2-en-1-one
PubChem CID104787696
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name3-[ethyl(propyl)amino]cyclopent-2-en-1-one
SMILESCCCN(CC)C1=CC(=O)CC1
InChIInChI=1S/C10H17NO/c1-3-7-11(4-2)9-5-6-10(12)8-9/h8H,3-7H2,1-2H3
InChIKeyMOETYIDDYAUPMW-UHFFFAOYSA-N
XLogP1.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(dimethylamino)propyl-ethylamino]cyclopent-2-en-1-one
CID 102994053
3-[prop-2-enyl(propyl)amino]cyclopent-2-en-1-one
CID 104788025
3-[ethyl(propyl)amino]-5,5-dimethylcyclohex-2-en-1-one
CID 154691812
3-[benzyl(ethyl)amino]cyclopent-2-en-1-one
CID 104787684
3-[tert-butyl(ethyl)amino]cyclopent-2-en-1-one
CID 130992491
3-[2-hydroxyethyl(pentan-3-yl)amino]cyclopent-2-en-1-one
CID 104787817
3-[methyl-[(3-methylcyclobutyl)methyl]amino]cyclopent-2-en-1-one
CID 164652867
3-[(4-ethylcyclohexyl)-methylamino]cyclopent-2-en-1-one
CID 104787794
N-ethyl-3-methyl-N-propylcyclohepta-1,3,6-trien-1-amine
CID 143615707
N-ethyl-N-propyl-1,3,5-triazin-2-amine
CID 69160465
4-[ethyl(propyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 137009080
3-[3-(diethylamino)propylamino]cyclopent-2-en-1-one
CID 104788205

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(propyl)amino]cyclopent-2-en-1-one?
The IUPAC name of 3-[ethyl(propyl)amino]cyclopent-2-en-1-one (CID 104787696) is 3-[ethyl(propyl)amino]cyclopent-2-en-1-one.
What is the SMILES notation for 3-[ethyl(propyl)amino]cyclopent-2-en-1-one?
The canonical SMILES for 3-[ethyl(propyl)amino]cyclopent-2-en-1-one is CCCN(CC)C1=CC(=O)CC1.
What is the InChIKey of 3-[ethyl(propyl)amino]cyclopent-2-en-1-one?
The InChIKey is MOETYIDDYAUPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-3-7-11(4-2)9-5-6-10(12)8-9/h8H,3-7H2,1-2H3.
What are the key properties of 3-[ethyl(propyl)amino]cyclopent-2-en-1-one?
3-[ethyl(propyl)amino]cyclopent-2-en-1-one has a molecular weight of 167.25 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(propyl)amino]cyclopent-2-en-1-one is sourced from PubChem (CID 104787696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).