[(2Z)-cyclooct-2-en-1-yl] carbamate

C9H15NO2 — CID 89188827

IUPAC[(2Z)-cyclooct-2-en-1-yl] carbamate
SMILESNC(=O)OC1/C=C\CCCCC1
InChIInChI=1S/C9H15NO2/c10-9(11)12-8-6-4-2-1-3-5-7-8/h4,6,8H,1-3,5,7H2,(H2,10,11)/b6-4-
InChIKeyMAECTRYTYKYCAL-XQRVVYSFSA-N
MW169.22 g/mol
LogP1.97
Rot. Bonds1

About [(2Z)-cyclooct-2-en-1-yl] carbamate

[(2Z)-cyclooct-2-en-1-yl] carbamate (PubChem CID 89188827) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is [(2Z)-cyclooct-2-en-1-yl] carbamate.

Molecular Properties

Compound Name[(2Z)-cyclooct-2-en-1-yl] carbamate
PubChem CID89188827
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name[(2Z)-cyclooct-2-en-1-yl] carbamate
SMILESNC(=O)OC1/C=C\CCCCC1
InChIInChI=1S/C9H15NO2/c10-9(11)12-8-6-4-2-1-3-5-7-8/h4,6,8H,1-3,5,7H2,(H2,10,11)/b6-4-
InChIKeyMAECTRYTYKYCAL-XQRVVYSFSA-N
XLogP1.97
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Cyclohexen-1-ylmethyl carbamate
CID 11159440
Cyclohex-2-en-1-yl carbamate
CID 14168851
(3-Methylcyclohex-2-en-1-yl) carbamate
CID 129933318
[(1R)-cyclohex-2-en-1-yl] carbamate
CID 134895834
[(1R)-3-methylcyclohex-2-en-1-yl] carbamate
CID 138976339
Cyclohept-2-en-1-yl carbamate
CID 11147841
Cyclooct-2-en-1-yl carbamate
CID 71014651
10-Carbamoyloxydodeca-1,11-dien-3-yl carbamate
CID 87621929
[(2E)-cyclooct-2-en-1-yl] N-methylcarbamate
CID 90182522
[(2E)-5-hydroxycyclooct-2-en-1-yl] carbamate
CID 90182560
[(2E)-6-methoxycyclooct-2-en-1-yl] carbamate
CID 90182577
[(2E)-6-methylcyclooct-2-en-1-yl] carbamate
CID 90182962

Frequently Asked Questions

What is the IUPAC name of [(2Z)-cyclooct-2-en-1-yl] carbamate?
The IUPAC name of [(2Z)-cyclooct-2-en-1-yl] carbamate (CID 89188827) is [(2Z)-cyclooct-2-en-1-yl] carbamate.
What is the SMILES notation for [(2Z)-cyclooct-2-en-1-yl] carbamate?
The canonical SMILES for [(2Z)-cyclooct-2-en-1-yl] carbamate is NC(=O)OC1/C=C\CCCCC1.
What is the InChIKey of [(2Z)-cyclooct-2-en-1-yl] carbamate?
The InChIKey is MAECTRYTYKYCAL-XQRVVYSFSA-N. The full InChI is InChI=1S/C9H15NO2/c10-9(11)12-8-6-4-2-1-3-5-7-8/h4,6,8H,1-3,5,7H2,(H2,10,11)/b6-4-.
What are the key properties of [(2Z)-cyclooct-2-en-1-yl] carbamate?
[(2Z)-cyclooct-2-en-1-yl] carbamate has a molecular weight of 169.22 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z)-cyclooct-2-en-1-yl] carbamate is sourced from PubChem (CID 89188827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).