(1Z)-N-ethoxycarbonylpentanimidate

C8H14NO3- — CID 54719678

IUPAC(1Z)-N-ethoxycarbonylpentanimidate
SMILESCCCC/C([O-])=N/C(=O)OCC
InChIInChI=1S/C8H15NO3/c1-3-5-6-7(10)9-8(11)12-4-2/h3-6H2,1-2H3,(H,9,10,11)/p-1
InChIKeyFDGAKVUGTRMCHA-UHFFFAOYSA-M
MW172.20 g/mol
LogP1.09
Rot. Bonds4

About (1Z)-N-ethoxycarbonylpentanimidate

(1Z)-N-ethoxycarbonylpentanimidate (PubChem CID 54719678) has the molecular formula C8H14NO3- and a molecular weight of 172.20 g/mol. Its IUPAC name is (1Z)-N-ethoxycarbonylpentanimidate.

Molecular Properties

Compound Name(1Z)-N-ethoxycarbonylpentanimidate
PubChem CID54719678
Molecular FormulaC8H14NO3-
Molecular Weight172.20 g/mol
Exact Mass172.10
IUPAC Name(1Z)-N-ethoxycarbonylpentanimidate
SMILESCCCC/C([O-])=N/C(=O)OCC
InChIInChI=1S/C8H15NO3/c1-3-5-6-7(10)9-8(11)12-4-2/h3-6H2,1-2H3,(H,9,10,11)/p-1
InChIKeyFDGAKVUGTRMCHA-UHFFFAOYSA-M
XLogP1.09
TPSA61.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.20
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

ethyl N-ethoxycarbonyl-5,5,5-trifluoropentanimidate
CID 54508421
methyl N-(ethoxycarbonyl)isobutyrimidate
CID 85528460
ethyl (1E)-N-ethoxycarbonyl-5,5,5-trifluoropentanimidate
CID 10445064
ethyl (1Z)-N-ethoxycarbonyl-5,5,5-trifluoropentanimidate
CID 22829270
ethyl N-carbethoxyvalerimidate
CID 53930077
ethyl N-ethoxycarbonyl-4-methylpentanimidate
CID 54173158
[1-Ethoxy-but-ylidene]-carbamic acid ethyl ester
CID 86637971
pentyl N-(oxomethylidene)carbamate
CID 87897935
butyl N-ethoxycarbonylethanimidate
CID 88755185
4-propyl-5H-1,3-oxazol-2-one
CID 140975257
ethyl (E)-1-ethoxypentylidenecarbamate
CID 14956815
ethyl (1Z)-N-ethoxycarbonylpentanimidate
CID 19939400

Frequently Asked Questions

What is the IUPAC name of (1Z)-N-ethoxycarbonylpentanimidate?
The IUPAC name of (1Z)-N-ethoxycarbonylpentanimidate (CID 54719678) is (1Z)-N-ethoxycarbonylpentanimidate.
What is the SMILES notation for (1Z)-N-ethoxycarbonylpentanimidate?
The canonical SMILES for (1Z)-N-ethoxycarbonylpentanimidate is CCCC/C([O-])=N/C(=O)OCC.
What is the InChIKey of (1Z)-N-ethoxycarbonylpentanimidate?
The InChIKey is FDGAKVUGTRMCHA-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H15NO3/c1-3-5-6-7(10)9-8(11)12-4-2/h3-6H2,1-2H3,(H,9,10,11)/p-1.
What are the key properties of (1Z)-N-ethoxycarbonylpentanimidate?
(1Z)-N-ethoxycarbonylpentanimidate has a molecular weight of 172.20 g/mol, XLogP of 1.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-N-ethoxycarbonylpentanimidate is sourced from PubChem (CID 54719678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).