4-cyclopropyl-4-ethylimino-3-methylbutan-2-one

C10H17NO — CID 123364926

IUPAC4-cyclopropyl-4-ethylimino-3-methylbutan-2-one
SMILESCC/N=C(\C1CC1)C(C)C(C)=O
InChIInChI=1S/C10H17NO/c1-4-11-10(9-5-6-9)7(2)8(3)12/h7,9H,4-6H2,1-3H3/b11-10-
InChIKeyCIQCYWDQWLOXDL-KHPPLWFESA-N
MW167.25 g/mol
LogP2.08
Rot. Bonds4

About 4-cyclopropyl-4-ethylimino-3-methylbutan-2-one

4-cyclopropyl-4-ethylimino-3-methylbutan-2-one (PubChem CID 123364926) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 4-cyclopropyl-4-ethylimino-3-methylbutan-2-one.

Molecular Properties

Compound Name4-cyclopropyl-4-ethylimino-3-methylbutan-2-one
PubChem CID123364926
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name4-cyclopropyl-4-ethylimino-3-methylbutan-2-one
SMILESCC/N=C(\C1CC1)C(C)C(C)=O
InChIInChI=1S/C10H17NO/c1-4-11-10(9-5-6-9)7(2)8(3)12/h7,9H,4-6H2,1-3H3/b11-10-
InChIKeyCIQCYWDQWLOXDL-KHPPLWFESA-N
XLogP2.08
TPSA29.43 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 ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-4-ethylimino-3-methylbutan-2-one?
The IUPAC name of 4-cyclopropyl-4-ethylimino-3-methylbutan-2-one (CID 123364926) is 4-cyclopropyl-4-ethylimino-3-methylbutan-2-one.
What is the SMILES notation for 4-cyclopropyl-4-ethylimino-3-methylbutan-2-one?
The canonical SMILES for 4-cyclopropyl-4-ethylimino-3-methylbutan-2-one is CC/N=C(\C1CC1)C(C)C(C)=O.
What is the InChIKey of 4-cyclopropyl-4-ethylimino-3-methylbutan-2-one?
The InChIKey is CIQCYWDQWLOXDL-KHPPLWFESA-N. The full InChI is InChI=1S/C10H17NO/c1-4-11-10(9-5-6-9)7(2)8(3)12/h7,9H,4-6H2,1-3H3/b11-10-.
What are the key properties of 4-cyclopropyl-4-ethylimino-3-methylbutan-2-one?
4-cyclopropyl-4-ethylimino-3-methylbutan-2-one has a molecular weight of 167.25 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-4-ethylimino-3-methylbutan-2-one is sourced from PubChem (CID 123364926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).