ethyl N-[(2R)-2-hydroxyhex-5-enyl]carbamate

C9H17NO3 — CID 90216301

IUPACethyl N-[(2R)-2-hydroxyhex-5-enyl]carbamate
SMILESC=CCC[C@@H](O)CNC(=O)OCC
InChIInChI=1S/C9H17NO3/c1-3-5-6-8(11)7-10-9(12)13-4-2/h3,8,11H,1,4-7H2,2H3,(H,10,12)/t8-/m1/s1
InChIKeyXHUZCXCZVLMQLS-MRVPVSSYSA-N
MW187.24 g/mol
LogP1.06
Rot. Bonds6

About ethyl N-[(2R)-2-hydroxyhex-5-enyl]carbamate

ethyl N-[(2R)-2-hydroxyhex-5-enyl]carbamate (PubChem CID 90216301) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is ethyl N-[(2R)-2-hydroxyhex-5-enyl]carbamate.

Molecular Properties

Compound Nameethyl N-[(2R)-2-hydroxyhex-5-enyl]carbamate
PubChem CID90216301
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Nameethyl N-[(2R)-2-hydroxyhex-5-enyl]carbamate
SMILESC=CCC[C@@H](O)CNC(=O)OCC
InChIInChI=1S/C9H17NO3/c1-3-5-6-8(11)7-10-9(12)13-4-2/h3,8,11H,1,4-7H2,2H3,(H,10,12)/t8-/m1/s1
InChIKeyXHUZCXCZVLMQLS-MRVPVSSYSA-N
XLogP1.06
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[(2R)-2-hydroxyhex-5-enyl]carbamate?
The IUPAC name of ethyl N-[(2R)-2-hydroxyhex-5-enyl]carbamate (CID 90216301) is ethyl N-[(2R)-2-hydroxyhex-5-enyl]carbamate.
What is the SMILES notation for ethyl N-[(2R)-2-hydroxyhex-5-enyl]carbamate?
The canonical SMILES for ethyl N-[(2R)-2-hydroxyhex-5-enyl]carbamate is C=CCC[C@@H](O)CNC(=O)OCC.
What is the InChIKey of ethyl N-[(2R)-2-hydroxyhex-5-enyl]carbamate?
The InChIKey is XHUZCXCZVLMQLS-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-3-5-6-8(11)7-10-9(12)13-4-2/h3,8,11H,1,4-7H2,2H3,(H,10,12)/t8-/m1/s1.
What are the key properties of ethyl N-[(2R)-2-hydroxyhex-5-enyl]carbamate?
ethyl N-[(2R)-2-hydroxyhex-5-enyl]carbamate has a molecular weight of 187.24 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(2R)-2-hydroxyhex-5-enyl]carbamate is sourced from PubChem (CID 90216301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).