4-(cyclopropylamino)cyclohexan-1-one

C9H15NO — CID 117027813

IUPAC4-(cyclopropylamino)cyclohexan-1-one
SMILESO=C1CCC(NC2CC2)CC1
InChIInChI=1S/C9H15NO/c11-9-5-3-8(4-6-9)10-7-1-2-7/h7-8,10H,1-6H2
InChIKeyPZMMHCDXVFCXHU-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.25
Rot. Bonds2

About 4-(cyclopropylamino)cyclohexan-1-one

4-(cyclopropylamino)cyclohexan-1-one (PubChem CID 117027813) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 4-(cyclopropylamino)cyclohexan-1-one.

Molecular Properties

Compound Name4-(cyclopropylamino)cyclohexan-1-one
PubChem CID117027813
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name4-(cyclopropylamino)cyclohexan-1-one
SMILESO=C1CCC(NC2CC2)CC1
InChIInChI=1S/C9H15NO/c11-9-5-3-8(4-6-9)10-7-1-2-7/h7-8,10H,1-6H2
InChIKeyPZMMHCDXVFCXHU-UHFFFAOYSA-N
XLogP1.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylamino)cyclohexan-1-one?
The IUPAC name of 4-(cyclopropylamino)cyclohexan-1-one (CID 117027813) is 4-(cyclopropylamino)cyclohexan-1-one.
What is the SMILES notation for 4-(cyclopropylamino)cyclohexan-1-one?
The canonical SMILES for 4-(cyclopropylamino)cyclohexan-1-one is O=C1CCC(NC2CC2)CC1.
What is the InChIKey of 4-(cyclopropylamino)cyclohexan-1-one?
The InChIKey is PZMMHCDXVFCXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c11-9-5-3-8(4-6-9)10-7-1-2-7/h7-8,10H,1-6H2.
What are the key properties of 4-(cyclopropylamino)cyclohexan-1-one?
4-(cyclopropylamino)cyclohexan-1-one has a molecular weight of 153.22 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylamino)cyclohexan-1-one is sourced from PubChem (CID 117027813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).