tert-butyl N-cyclopentylidenecarbamate

C10H17NO2 — CID 143181041

IUPACtert-butyl N-cyclopentylidenecarbamate
SMILESCC(C)(C)OC(=O)N=C1CCCC1
InChIInChI=1S/C10H17NO2/c1-10(2,3)13-9(12)11-8-6-4-5-7-8/h4-7H2,1-3H3
InChIKeyPVDMKFVYNADBPP-UHFFFAOYSA-N
MW183.25 g/mol
LogP2.94
Rot. Bonds

About tert-butyl N-cyclopentylidenecarbamate

tert-butyl N-cyclopentylidenecarbamate (PubChem CID 143181041) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is tert-butyl N-cyclopentylidenecarbamate.

Molecular Properties

Compound Nametert-butyl N-cyclopentylidenecarbamate
PubChem CID143181041
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Nametert-butyl N-cyclopentylidenecarbamate
SMILESCC(C)(C)OC(=O)N=C1CCCC1
InChIInChI=1S/C10H17NO2/c1-10(2,3)13-9(12)11-8-6-4-5-7-8/h4-7H2,1-3H3
InChIKeyPVDMKFVYNADBPP-UHFFFAOYSA-N
XLogP2.94
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-propan-2-ylidenecarbamate
CID 57263954
4,5,5-Trimethyl-1,3-oxazol-2-one
CID 70309540
tert-butyl N-(2-methyliminohexan-3-ylidene)carbamate
CID 91008610
tert-butyl N-pentan-3-ylidenecarbamate
CID 123157234
tert-butyl N-[1-ethyl-3-[(2-methylpropan-2-yl)oxycarbonylimino]butylidene]carbamate
CID 123194297
tert-butyl N-(3-oxopentan-2-ylidene)carbamate
CID 123250842
tert-butyl N-(3-iminopentan-2-ylidene)carbamate
CID 123757189
tert-butyl N-(2-iminopentan-3-ylidene)carbamate
CID 123767585
tert-butyl N-hexan-2-ylidenecarbamate
CID 123825053
tert-butyl N-butan-2-ylidenecarbamate
CID 123954280
tert-butyl N-(3-methylpentan-2-ylidene)carbamate
CID 124015175
tert-butyl N-cyclohexylidenecarbamate
CID 130270349

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-cyclopentylidenecarbamate?
The IUPAC name of tert-butyl N-cyclopentylidenecarbamate (CID 143181041) is tert-butyl N-cyclopentylidenecarbamate.
What is the SMILES notation for tert-butyl N-cyclopentylidenecarbamate?
The canonical SMILES for tert-butyl N-cyclopentylidenecarbamate is CC(C)(C)OC(=O)N=C1CCCC1.
What is the InChIKey of tert-butyl N-cyclopentylidenecarbamate?
The InChIKey is PVDMKFVYNADBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-10(2,3)13-9(12)11-8-6-4-5-7-8/h4-7H2,1-3H3.
What are the key properties of tert-butyl N-cyclopentylidenecarbamate?
tert-butyl N-cyclopentylidenecarbamate has a molecular weight of 183.25 g/mol, XLogP of 2.94, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-cyclopentylidenecarbamate is sourced from PubChem (CID 143181041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).