methyl 2-propan-2-yliminocyclopentane-1-carboxylate

C10H17NO2 — CID 139895357

IUPACmethyl 2-propan-2-yliminocyclopentane-1-carboxylate
SMILESCOC(=O)C1CCC/C1=N\C(C)C
InChIInChI=1S/C10H17NO2/c1-7(2)11-9-6-4-5-8(9)10(12)13-3/h7-8H,4-6H2,1-3H3/b11-9+
InChIKeyQXXPUEDGPZDSKZ-PKNBQFBNSA-N
MW183.25 g/mol
LogP1.81
Rot. Bonds2

About methyl 2-propan-2-yliminocyclopentane-1-carboxylate

methyl 2-propan-2-yliminocyclopentane-1-carboxylate (PubChem CID 139895357) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is methyl 2-propan-2-yliminocyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-propan-2-yliminocyclopentane-1-carboxylate
PubChem CID139895357
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Namemethyl 2-propan-2-yliminocyclopentane-1-carboxylate
SMILESCOC(=O)C1CCC/C1=N\C(C)C
InChIInChI=1S/C10H17NO2/c1-7(2)11-9-6-4-5-8(9)10(12)13-3/h7-8H,4-6H2,1-3H3/b11-9+
InChIKeyQXXPUEDGPZDSKZ-PKNBQFBNSA-N
XLogP1.81
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 ≤ 51.81
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

methyl 3-[(2S)-2,4-dimethyl-3,4-dihydro-2H-pyrrol-5-yl]propanoate
CID 134858924
(2S,3S)-Methyl 3,5-dimethyl-3,4-dihydro-2H-pyrrole-2-carboxylate
CID 45115905
Ethyl 2-methyliminocyclopentane-1-carboxylate
CID 12399146
Ethyl 2-ethyliminocyclopentane-1-carboxylate
CID 90768335
Ethyl 2-propan-2-yliminocyclopentane-1-carboxylate
CID 90901173
Methyl 2-ethanimidoyl-3-propan-2-yliminopentanoate
CID 90902361
Ethyl 2-(3-methylbutylimino)cyclopentane-1-carboxylate
CID 90959351
Ethyl 2-[2-(dimethylamino)ethylimino]cyclopentane-1-carboxylate
CID 91103134
Ethyl 2-(3,3-dimethylbutylimino)cyclopentane-1-carboxylate
CID 91391939
methyl (2S,4S)-4,5-dimethyl-3,4-dihydro-2H-pyrrole-2-carboxylate
CID 122451420
Ethyl 5-methyl-3-propan-2-yliminohexanoate
CID 123410205
2-[(2-Methoxycarbonylcyclopentylidene)amino]acetic acid
CID 123543589

Frequently Asked Questions

What is the IUPAC name of methyl 2-propan-2-yliminocyclopentane-1-carboxylate?
The IUPAC name of methyl 2-propan-2-yliminocyclopentane-1-carboxylate (CID 139895357) is methyl 2-propan-2-yliminocyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2-propan-2-yliminocyclopentane-1-carboxylate?
The canonical SMILES for methyl 2-propan-2-yliminocyclopentane-1-carboxylate is COC(=O)C1CCC/C1=N\C(C)C.
What is the InChIKey of methyl 2-propan-2-yliminocyclopentane-1-carboxylate?
The InChIKey is QXXPUEDGPZDSKZ-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H17NO2/c1-7(2)11-9-6-4-5-8(9)10(12)13-3/h7-8H,4-6H2,1-3H3/b11-9+.
What are the key properties of methyl 2-propan-2-yliminocyclopentane-1-carboxylate?
methyl 2-propan-2-yliminocyclopentane-1-carboxylate has a molecular weight of 183.25 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-propan-2-yliminocyclopentane-1-carboxylate is sourced from PubChem (CID 139895357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).