(propan-2-ylideneamino) cyclohexanecarboxylate

C10H17NO2 — CID 58984187

IUPAC(propan-2-ylideneamino) cyclohexanecarboxylate
SMILESCC(C)=NOC(=O)C1CCCCC1
InChIInChI=1S/C10H17NO2/c1-8(2)11-13-10(12)9-6-4-3-5-7-9/h9H,3-7H2,1-2H3
InChIKeyDSLDSGSRCZZYHK-UHFFFAOYSA-N
MW183.25 g/mol
LogP2.51
Rot. Bonds2

About (propan-2-ylideneamino) cyclohexanecarboxylate

(propan-2-ylideneamino) cyclohexanecarboxylate (PubChem CID 58984187) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is (propan-2-ylideneamino) cyclohexanecarboxylate.

Molecular Properties

Compound Name(propan-2-ylideneamino) cyclohexanecarboxylate
PubChem CID58984187
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name(propan-2-ylideneamino) cyclohexanecarboxylate
SMILESCC(C)=NOC(=O)C1CCCCC1
InChIInChI=1S/C10H17NO2/c1-8(2)11-13-10(12)9-6-4-3-5-7-9/h9H,3-7H2,1-2H3
InChIKeyDSLDSGSRCZZYHK-UHFFFAOYSA-N
XLogP2.51
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (propan-2-ylideneamino) cyclohexanecarboxylate?
The IUPAC name of (propan-2-ylideneamino) cyclohexanecarboxylate (CID 58984187) is (propan-2-ylideneamino) cyclohexanecarboxylate.
What is the SMILES notation for (propan-2-ylideneamino) cyclohexanecarboxylate?
The canonical SMILES for (propan-2-ylideneamino) cyclohexanecarboxylate is CC(C)=NOC(=O)C1CCCCC1.
What is the InChIKey of (propan-2-ylideneamino) cyclohexanecarboxylate?
The InChIKey is DSLDSGSRCZZYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-8(2)11-13-10(12)9-6-4-3-5-7-9/h9H,3-7H2,1-2H3.
What are the key properties of (propan-2-ylideneamino) cyclohexanecarboxylate?
(propan-2-ylideneamino) cyclohexanecarboxylate has a molecular weight of 183.25 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (propan-2-ylideneamino) cyclohexanecarboxylate is sourced from PubChem (CID 58984187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).