(propan-2-ylideneamino) 2-ethylpentanoate

C10H19NO2 — CID 18716588

IUPAC(propan-2-ylideneamino) 2-ethylpentanoate
SMILESCCCC(CC)C(=O)ON=C(C)C
InChIInChI=1S/C10H19NO2/c1-5-7-9(6-2)10(12)13-11-8(3)4/h9H,5-7H2,1-4H3
InChIKeyFRIMDGPVFCGQRX-UHFFFAOYSA-N
MW185.27 g/mol
LogP2.75
Rot. Bonds5

About (propan-2-ylideneamino) 2-ethylpentanoate

(propan-2-ylideneamino) 2-ethylpentanoate (PubChem CID 18716588) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (propan-2-ylideneamino) 2-ethylpentanoate.

Molecular Properties

Compound Name(propan-2-ylideneamino) 2-ethylpentanoate
PubChem CID18716588
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(propan-2-ylideneamino) 2-ethylpentanoate
SMILESCCCC(CC)C(=O)ON=C(C)C
InChIInChI=1S/C10H19NO2/c1-5-7-9(6-2)10(12)13-11-8(3)4/h9H,5-7H2,1-4H3
InChIKeyFRIMDGPVFCGQRX-UHFFFAOYSA-N
XLogP2.75
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.75
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'}

Analyze (propan-2-ylideneamino) 2-ethylpentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(Propan-2-yl)-4,5-dihydro-1,2-oxazol-5-one
CID 13351033
3-Acetyl hexanedioic acid, methyl ester, methoxime, anti
CID 91749502
3-ethyl-4-methyl-4H-1,2-oxazol-5-one
CID 23397168
(Propan-2-ylideneamino) cyclohexanecarboxylate
CID 58984187
Methyl 3-methoxyimino-4-methylpentanoate
CID 87787097
[(Z)-3,3-dimethylbutan-2-ylideneamino] 2-methylpentanoate
CID 169596140
4-Ethyl-3-propylisoxazol-5(4H)-one
CID 45098999
Methyl 2-ethyl-3-(methoxyimino)hexanoate
CID 71408664
4-butyl-3-methyl-4H-1,2-oxazol-5-one
CID 91619468
3-(Butan-2-yl)-4,5-dihydro-1,2-oxazol-5-one
CID 126976959

Frequently Asked Questions

What is the IUPAC name of (propan-2-ylideneamino) 2-ethylpentanoate?
The IUPAC name of (propan-2-ylideneamino) 2-ethylpentanoate (CID 18716588) is (propan-2-ylideneamino) 2-ethylpentanoate.
What is the SMILES notation for (propan-2-ylideneamino) 2-ethylpentanoate?
The canonical SMILES for (propan-2-ylideneamino) 2-ethylpentanoate is CCCC(CC)C(=O)ON=C(C)C.
What is the InChIKey of (propan-2-ylideneamino) 2-ethylpentanoate?
The InChIKey is FRIMDGPVFCGQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-5-7-9(6-2)10(12)13-11-8(3)4/h9H,5-7H2,1-4H3.
What are the key properties of (propan-2-ylideneamino) 2-ethylpentanoate?
(propan-2-ylideneamino) 2-ethylpentanoate has a molecular weight of 185.27 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (propan-2-ylideneamino) 2-ethylpentanoate is sourced from PubChem (CID 18716588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).