tert-butyl N-(8-formylcyclooct-4-en-1-yl)carbamate

C14H23NO3 — CID 130003410

IUPACtert-butyl N-(8-formylcyclooct-4-en-1-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCC=CCCC1C=O
InChIInChI=1S/C14H23NO3/c1-14(2,3)18-13(17)15-12-9-7-5-4-6-8-11(12)10-16/h4-5,10-12H,6-9H2,1-3H3,(H,15,17)
InChIKeyMQWFDBUONPZNGK-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.83
Rot. Bonds2

About tert-butyl N-(8-formylcyclooct-4-en-1-yl)carbamate

tert-butyl N-(8-formylcyclooct-4-en-1-yl)carbamate (PubChem CID 130003410) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is tert-butyl N-(8-formylcyclooct-4-en-1-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(8-formylcyclooct-4-en-1-yl)carbamate
PubChem CID130003410
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Nametert-butyl N-(8-formylcyclooct-4-en-1-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCC=CCCC1C=O
InChIInChI=1S/C14H23NO3/c1-14(2,3)18-13(17)15-12-9-7-5-4-6-8-11(12)10-16/h4-5,10-12H,6-9H2,1-3H3,(H,15,17)
InChIKeyMQWFDBUONPZNGK-UHFFFAOYSA-N
XLogP2.83
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl N-(8-formylcyclooct-4-en-1-yl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[(1S,2S)-2-formylcyclopentyl]carbamate
CID 96612570
tert-butyl N-[(1S,2R)-2-formylcyclohexyl]carbamate;tert-butyl N-[(1R,2S)-2-formylcyclohexyl]carbamate
CID 102571710
tert-butyl N-[(1S,2R)-2-formylcycloheptyl]carbamate
CID 87517913
tert-butyl N-[(1R,4E,8S)-8-(methylamino)cyclooct-4-en-1-yl]carbamate
CID 118458941
(1R,4Z,8S)-8-[(2-methylpropan-2-yl)oxycarbonylamino]cyclooct-4-ene-1-carboxylic acid
CID 17039484
tert-butyl N-[(3S,4R)-4-formyloxan-3-yl]carbamate
CID 59094980
tert-butyl N-[(1S,4R)-2-formyl-4-hydroxy-4-methylcyclohexyl]carbamate
CID 170212604
tert-butyl N-[(3R,4R)-3-formylthian-4-yl]carbamate
CID 59095027
tert-butyl N-[(1R,6S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohex-3-en-1-yl]carbamate
CID 58822264
tert-butyl N-[(1R,8R)-8-formylcyclooct-2-en-1-yl]carbamate
CID 98106498
methyl (1R,3R,4R)-3-formyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
CID 102054686
tert-butyl N-(4-formyl-1,1-dioxothiazinan-5-yl)carbamate
CID 21362532

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(8-formylcyclooct-4-en-1-yl)carbamate?
The IUPAC name of tert-butyl N-(8-formylcyclooct-4-en-1-yl)carbamate (CID 130003410) is tert-butyl N-(8-formylcyclooct-4-en-1-yl)carbamate.
What is the SMILES notation for tert-butyl N-(8-formylcyclooct-4-en-1-yl)carbamate?
The canonical SMILES for tert-butyl N-(8-formylcyclooct-4-en-1-yl)carbamate is CC(C)(C)OC(=O)NC1CCC=CCCC1C=O.
What is the InChIKey of tert-butyl N-(8-formylcyclooct-4-en-1-yl)carbamate?
The InChIKey is MQWFDBUONPZNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-14(2,3)18-13(17)15-12-9-7-5-4-6-8-11(12)10-16/h4-5,10-12H,6-9H2,1-3H3,(H,15,17).
What are the key properties of tert-butyl N-(8-formylcyclooct-4-en-1-yl)carbamate?
tert-butyl N-(8-formylcyclooct-4-en-1-yl)carbamate has a molecular weight of 253.34 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(8-formylcyclooct-4-en-1-yl)carbamate is sourced from PubChem (CID 130003410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).