(6-hydroxycyclooct-2-en-1-yl) carbamate

C9H15NO3 — CID 123921756

IUPAC(6-hydroxycyclooct-2-en-1-yl) carbamate
SMILESNC(=O)OC1C=CCCC(O)CC1
InChIInChI=1S/C9H15NO3/c10-9(12)13-8-4-2-1-3-7(11)5-6-8/h2,4,7-8,11H,1,3,5-6H2,(H2,10,12)
InChIKeyRASHTWQGVDGCOU-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.94
Rot. Bonds1

About (6-hydroxycyclooct-2-en-1-yl) carbamate

(6-hydroxycyclooct-2-en-1-yl) carbamate (PubChem CID 123921756) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is (6-hydroxycyclooct-2-en-1-yl) carbamate.

Molecular Properties

Compound Name(6-hydroxycyclooct-2-en-1-yl) carbamate
PubChem CID123921756
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name(6-hydroxycyclooct-2-en-1-yl) carbamate
SMILESNC(=O)OC1C=CCCC(O)CC1
InChIInChI=1S/C9H15NO3/c10-9(12)13-8-4-2-1-3-7(11)5-6-8/h2,4,7-8,11H,1,3,5-6H2,(H2,10,12)
InChIKeyRASHTWQGVDGCOU-UHFFFAOYSA-N
XLogP0.94
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (6-hydroxycyclooct-2-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

[(2E)-4-carbamoyloxy-6-hydroxycyclooct-2-en-1-yl] carbamate
CID 144632180
[(2E)-6-hydroxycyclooct-2-en-1-yl] tert-butylsulfanylformate
CID 118458928
methyl (1S,4E,6S)-6-carbamoyloxycyclooct-4-ene-1-carboxylate
CID 177224563
[(2E)-6-hydroxycyclooct-2-en-1-yl] formate
CID 155745296
(6-methylcyclohex-2-en-1-yl) carbamate
CID 174949561
ethane;[(2E)-6-hydroxycyclooct-2-en-1-yl] N-[2-[(4-amino-2,3,5,6-tetrafluorobenzoyl)amino]ethyl]carbamate
CID 155745384
[(2E)-6-hydroxycyclooct-2-en-1-yl] N-[2-[(4-amino-2-hydroxybenzoyl)amino]ethyl]carbamate;methane
CID 155745336
[(2E)-6-aminocyclooct-2-en-1-yl] N-iodocarbamate
CID 174338322
[(2E)-6-acetylcyclooct-2-en-1-yl] hydrogen carbonate
CID 90182632
[(2E)-6-aminocyclooct-2-en-1-yl] tert-butylsulfanylformate
CID 118458929
ethane;[(2E)-6-(methylamino)cyclooct-2-en-1-yl]oxymethanethioic S-acid
CID 144632126
[(1R)-cyclohept-2-en-1-yl] 2-methylpropanoate
CID 14932680

Frequently Asked Questions

What is the IUPAC name of (6-hydroxycyclooct-2-en-1-yl) carbamate?
The IUPAC name of (6-hydroxycyclooct-2-en-1-yl) carbamate (CID 123921756) is (6-hydroxycyclooct-2-en-1-yl) carbamate.
What is the SMILES notation for (6-hydroxycyclooct-2-en-1-yl) carbamate?
The canonical SMILES for (6-hydroxycyclooct-2-en-1-yl) carbamate is NC(=O)OC1C=CCCC(O)CC1.
What is the InChIKey of (6-hydroxycyclooct-2-en-1-yl) carbamate?
The InChIKey is RASHTWQGVDGCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c10-9(12)13-8-4-2-1-3-7(11)5-6-8/h2,4,7-8,11H,1,3,5-6H2,(H2,10,12).
What are the key properties of (6-hydroxycyclooct-2-en-1-yl) carbamate?
(6-hydroxycyclooct-2-en-1-yl) carbamate has a molecular weight of 185.22 g/mol, XLogP of 0.94, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-hydroxycyclooct-2-en-1-yl) carbamate is sourced from PubChem (CID 123921756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).