4-propanoylcyclohexane-1-carboxamide

C10H17NO2 — CID 118218321

IUPAC4-propanoylcyclohexane-1-carboxamide
SMILESCCC(=O)C1CCC(C(N)=O)CC1
InChIInChI=1S/C10H17NO2/c1-2-9(12)7-3-5-8(6-4-7)10(11)13/h7-8H,2-6H2,1H3,(H2,11,13)
InChIKeyZTGIMOMGFXNFEE-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.26
Rot. Bonds3

About 4-propanoylcyclohexane-1-carboxamide

4-propanoylcyclohexane-1-carboxamide (PubChem CID 118218321) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 4-propanoylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-propanoylcyclohexane-1-carboxamide
PubChem CID118218321
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name4-propanoylcyclohexane-1-carboxamide
SMILESCCC(=O)C1CCC(C(N)=O)CC1
InChIInChI=1S/C10H17NO2/c1-2-9(12)7-3-5-8(6-4-7)10(11)13/h7-8H,2-6H2,1H3,(H2,11,13)
InChIKeyZTGIMOMGFXNFEE-UHFFFAOYSA-N
XLogP1.26
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propanoylcyclohexane-1-carboxamide?
The IUPAC name of 4-propanoylcyclohexane-1-carboxamide (CID 118218321) is 4-propanoylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-propanoylcyclohexane-1-carboxamide?
The canonical SMILES for 4-propanoylcyclohexane-1-carboxamide is CCC(=O)C1CCC(C(N)=O)CC1.
What is the InChIKey of 4-propanoylcyclohexane-1-carboxamide?
The InChIKey is ZTGIMOMGFXNFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-2-9(12)7-3-5-8(6-4-7)10(11)13/h7-8H,2-6H2,1H3,(H2,11,13).
What are the key properties of 4-propanoylcyclohexane-1-carboxamide?
4-propanoylcyclohexane-1-carboxamide has a molecular weight of 183.25 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propanoylcyclohexane-1-carboxamide is sourced from PubChem (CID 118218321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).