4-(1-amino-3-oxopropyl)cyclohexane-1-carbaldehyde

C10H17NO2 — CID 166932348

IUPAC4-(1-amino-3-oxopropyl)cyclohexane-1-carbaldehyde
SMILESNC(CC=O)C1CCC(C=O)CC1
InChIInChI=1S/C10H17NO2/c11-10(5-6-12)9-3-1-8(7-13)2-4-9/h6-10H,1-5,11H2
InChIKeyJMTCCJURTGWCNU-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.91
Rot. Bonds4

About 4-(1-amino-3-oxopropyl)cyclohexane-1-carbaldehyde

4-(1-amino-3-oxopropyl)cyclohexane-1-carbaldehyde (PubChem CID 166932348) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 4-(1-amino-3-oxopropyl)cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name4-(1-amino-3-oxopropyl)cyclohexane-1-carbaldehyde
PubChem CID166932348
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name4-(1-amino-3-oxopropyl)cyclohexane-1-carbaldehyde
SMILESNC(CC=O)C1CCC(C=O)CC1
InChIInChI=1S/C10H17NO2/c11-10(5-6-12)9-3-1-8(7-13)2-4-9/h6-10H,1-5,11H2
InChIKeyJMTCCJURTGWCNU-UHFFFAOYSA-N
XLogP0.91
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1-amino-3-oxopropyl)cyclohexane-1-carbaldehyde?
The IUPAC name of 4-(1-amino-3-oxopropyl)cyclohexane-1-carbaldehyde (CID 166932348) is 4-(1-amino-3-oxopropyl)cyclohexane-1-carbaldehyde.
What is the SMILES notation for 4-(1-amino-3-oxopropyl)cyclohexane-1-carbaldehyde?
The canonical SMILES for 4-(1-amino-3-oxopropyl)cyclohexane-1-carbaldehyde is NC(CC=O)C1CCC(C=O)CC1.
What is the InChIKey of 4-(1-amino-3-oxopropyl)cyclohexane-1-carbaldehyde?
The InChIKey is JMTCCJURTGWCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c11-10(5-6-12)9-3-1-8(7-13)2-4-9/h6-10H,1-5,11H2.
What are the key properties of 4-(1-amino-3-oxopropyl)cyclohexane-1-carbaldehyde?
4-(1-amino-3-oxopropyl)cyclohexane-1-carbaldehyde has a molecular weight of 183.25 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-amino-3-oxopropyl)cyclohexane-1-carbaldehyde is sourced from PubChem (CID 166932348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).