tert-butyl 2-(cyclopentylideneamino)acetate

C11H19NO2 — CID 58215852

IUPACtert-butyl 2-(cyclopentylideneamino)acetate
SMILESCC(C)(C)OC(=O)CN=C1CCCC1
InChIInChI=1S/C11H19NO2/c1-11(2,3)14-10(13)8-12-9-6-4-5-7-9/h4-8H2,1-3H3
InChIKeyFRXQOEFBWAALJO-UHFFFAOYSA-N
MW197.28 g/mol
LogP2.34
Rot. Bonds2

About tert-butyl 2-(cyclopentylideneamino)acetate

tert-butyl 2-(cyclopentylideneamino)acetate (PubChem CID 58215852) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is tert-butyl 2-(cyclopentylideneamino)acetate.

Molecular Properties

Compound Nametert-butyl 2-(cyclopentylideneamino)acetate
PubChem CID58215852
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Nametert-butyl 2-(cyclopentylideneamino)acetate
SMILESCC(C)(C)OC(=O)CN=C1CCCC1
InChIInChI=1S/C11H19NO2/c1-11(2,3)14-10(13)8-12-9-6-4-5-7-9/h4-8H2,1-3H3
InChIKeyFRXQOEFBWAALJO-UHFFFAOYSA-N
XLogP2.34
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Tert-butyl 2-(propan-2-ylideneamino)acetate
CID 23137660
tert-Butyl 2-[(pentan-3-ylidene)amino]acetate
CID 59249456
Tert-butyl 2-[(3-oxocyclopentylidene)amino]acetate
CID 123758716
[2-Methyl-1-(pentan-3-ylideneamino)propan-2-yl] acetate
CID 152456713
tert-butyl 2-[[(3S)-3-methylcyclopentylidene]amino]acetate
CID 163291752
Tert-butyl 2-(1-cyanobutan-2-ylideneamino)acetate
CID 164029610
Tert-butyl 2-(cyclohexylideneamino)acetate
CID 157408764
Tert-butyl 2-(oxolan-3-ylideneamino)acetate
CID 157680674
Tert-butyl 2-(1,1,1,3,3,3-hexadeuteriopropan-2-ylideneamino)acetate
CID 158444021

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(cyclopentylideneamino)acetate?
The IUPAC name of tert-butyl 2-(cyclopentylideneamino)acetate (CID 58215852) is tert-butyl 2-(cyclopentylideneamino)acetate.
What is the SMILES notation for tert-butyl 2-(cyclopentylideneamino)acetate?
The canonical SMILES for tert-butyl 2-(cyclopentylideneamino)acetate is CC(C)(C)OC(=O)CN=C1CCCC1.
What is the InChIKey of tert-butyl 2-(cyclopentylideneamino)acetate?
The InChIKey is FRXQOEFBWAALJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-11(2,3)14-10(13)8-12-9-6-4-5-7-9/h4-8H2,1-3H3.
What are the key properties of tert-butyl 2-(cyclopentylideneamino)acetate?
tert-butyl 2-(cyclopentylideneamino)acetate has a molecular weight of 197.28 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(cyclopentylideneamino)acetate is sourced from PubChem (CID 58215852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).