propyl 2-ethyl-3-iminopentanoate

C10H19NO2 — CID 123702273

IUPACpropyl 2-ethyl-3-iminopentanoate
SMILES[H]/N=C(\CC)C(CC)C(=O)OCCC
InChIInChI=1S/C10H19NO2/c1-4-7-13-10(12)8(5-2)9(11)6-3/h8,11H,4-7H2,1-3H3/b11-9+
InChIKeyCROBXKXCULYSQD-PKNBQFBNSA-N
MW185.27 g/mol
LogP2.40
Rot. Bonds6

About propyl 2-ethyl-3-iminopentanoate

propyl 2-ethyl-3-iminopentanoate (PubChem CID 123702273) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is propyl 2-ethyl-3-iminopentanoate.

Molecular Properties

Compound Namepropyl 2-ethyl-3-iminopentanoate
PubChem CID123702273
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Namepropyl 2-ethyl-3-iminopentanoate
SMILES[H]/N=C(\CC)C(CC)C(=O)OCCC
InChIInChI=1S/C10H19NO2/c1-4-7-13-10(12)8(5-2)9(11)6-3/h8,11H,4-7H2,1-3H3/b11-9+
InChIKeyCROBXKXCULYSQD-PKNBQFBNSA-N
XLogP2.40
TPSA50.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

Ethyl 3-ethyl-2-iminopentanoate
CID 57118574
Ethyl 2-cyano-4-ethyl-3-iminohexanoate
CID 90862001
Ethyl 3-fluoro-2-imino-4-methylpentanoate
CID 174619131
Ethyl 2-acetyl-3-iminopentanoate
CID 12458669
Ethyl 2-ethanimidoyl-3-oxopentanoate
CID 12458671
Butanoic acid, 2-ethyl-3-imino-, ethyl ester
CID 12399155
Methyl 2-imino-4-methylpentanoate
CID 16184520
Ethyl 3-imino-4-methylpentanoate
CID 21426789
Ethyl 2-iminocyclopentanecarboxylate
CID 23344256
Ethyl 2-(2-cyanoethyl)-3-iminobutanoate
CID 53803155
Methyl 3-imino-2-methylpentanoate
CID 53872385
2-Trimethylsilylethyl 3-imino-4-methylpentanoate
CID 53953140

Frequently Asked Questions

What is the IUPAC name of propyl 2-ethyl-3-iminopentanoate?
The IUPAC name of propyl 2-ethyl-3-iminopentanoate (CID 123702273) is propyl 2-ethyl-3-iminopentanoate.
What is the SMILES notation for propyl 2-ethyl-3-iminopentanoate?
The canonical SMILES for propyl 2-ethyl-3-iminopentanoate is [H]/N=C(\CC)C(CC)C(=O)OCCC.
What is the InChIKey of propyl 2-ethyl-3-iminopentanoate?
The InChIKey is CROBXKXCULYSQD-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H19NO2/c1-4-7-13-10(12)8(5-2)9(11)6-3/h8,11H,4-7H2,1-3H3/b11-9+.
What are the key properties of propyl 2-ethyl-3-iminopentanoate?
propyl 2-ethyl-3-iminopentanoate has a molecular weight of 185.27 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-ethyl-3-iminopentanoate is sourced from PubChem (CID 123702273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).