1-[2,2-dimethyl-3-(methyliminomethyl)cyclopropyl]ethanone

C9H15NO — CID 90361332

IUPAC1-[2,2-dimethyl-3-(methyliminomethyl)cyclopropyl]ethanone
SMILESC/N=C/C1C(C(C)=O)C1(C)C
InChIInChI=1S/C9H15NO/c1-6(11)8-7(5-10-4)9(8,2)3/h5,7-8H,1-4H3/b10-5+
InChIKeyUMURLVPQQUDGON-BJMVGYQFSA-N
MW153.22 g/mol
LogP1.55
Rot. Bonds2

About 1-[2,2-dimethyl-3-(methyliminomethyl)cyclopropyl]ethanone

1-[2,2-dimethyl-3-(methyliminomethyl)cyclopropyl]ethanone (PubChem CID 90361332) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 1-[2,2-dimethyl-3-(methyliminomethyl)cyclopropyl]ethanone.

Molecular Properties

Compound Name1-[2,2-dimethyl-3-(methyliminomethyl)cyclopropyl]ethanone
PubChem CID90361332
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name1-[2,2-dimethyl-3-(methyliminomethyl)cyclopropyl]ethanone
SMILESC/N=C/C1C(C(C)=O)C1(C)C
InChIInChI=1S/C9H15NO/c1-6(11)8-7(5-10-4)9(8,2)3/h5,7-8H,1-4H3/b10-5+
InChIKeyUMURLVPQQUDGON-BJMVGYQFSA-N
XLogP1.55
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.55
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 1-[2,2-dimethyl-3-(methyliminomethyl)cyclopropyl]ethanone?
The IUPAC name of 1-[2,2-dimethyl-3-(methyliminomethyl)cyclopropyl]ethanone (CID 90361332) is 1-[2,2-dimethyl-3-(methyliminomethyl)cyclopropyl]ethanone.
What is the SMILES notation for 1-[2,2-dimethyl-3-(methyliminomethyl)cyclopropyl]ethanone?
The canonical SMILES for 1-[2,2-dimethyl-3-(methyliminomethyl)cyclopropyl]ethanone is C/N=C/C1C(C(C)=O)C1(C)C.
What is the InChIKey of 1-[2,2-dimethyl-3-(methyliminomethyl)cyclopropyl]ethanone?
The InChIKey is UMURLVPQQUDGON-BJMVGYQFSA-N. The full InChI is InChI=1S/C9H15NO/c1-6(11)8-7(5-10-4)9(8,2)3/h5,7-8H,1-4H3/b10-5+.
What are the key properties of 1-[2,2-dimethyl-3-(methyliminomethyl)cyclopropyl]ethanone?
1-[2,2-dimethyl-3-(methyliminomethyl)cyclopropyl]ethanone has a molecular weight of 153.22 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-dimethyl-3-(methyliminomethyl)cyclopropyl]ethanone is sourced from PubChem (CID 90361332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).