6-hydroxyhexyl N-propylidenecarbamate

C10H19NO3 — CID 91503077

IUPAC6-hydroxyhexyl N-propylidenecarbamate
SMILESCCC=NC(=O)OCCCCCCO
InChIInChI=1S/C10H19NO3/c1-2-7-11-10(13)14-9-6-4-3-5-8-12/h7,12H,2-6,8-9H2,1H3
InChIKeyWIAPIHWFFRQFNQ-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.16
Rot. Bonds7

About 6-hydroxyhexyl N-propylidenecarbamate

6-hydroxyhexyl N-propylidenecarbamate (PubChem CID 91503077) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 6-hydroxyhexyl N-propylidenecarbamate.

Molecular Properties

Compound Name6-hydroxyhexyl N-propylidenecarbamate
PubChem CID91503077
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name6-hydroxyhexyl N-propylidenecarbamate
SMILESCCC=NC(=O)OCCCCCCO
InChIInChI=1S/C10H19NO3/c1-2-7-11-10(13)14-9-6-4-3-5-8-12/h7,12H,2-6,8-9H2,1H3
InChIKeyWIAPIHWFFRQFNQ-UHFFFAOYSA-N
XLogP2.16
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxyhexyl N-propylidenecarbamate?
The IUPAC name of 6-hydroxyhexyl N-propylidenecarbamate (CID 91503077) is 6-hydroxyhexyl N-propylidenecarbamate.
What is the SMILES notation for 6-hydroxyhexyl N-propylidenecarbamate?
The canonical SMILES for 6-hydroxyhexyl N-propylidenecarbamate is CCC=NC(=O)OCCCCCCO.
What is the InChIKey of 6-hydroxyhexyl N-propylidenecarbamate?
The InChIKey is WIAPIHWFFRQFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-2-7-11-10(13)14-9-6-4-3-5-8-12/h7,12H,2-6,8-9H2,1H3.
What are the key properties of 6-hydroxyhexyl N-propylidenecarbamate?
6-hydroxyhexyl N-propylidenecarbamate has a molecular weight of 201.27 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxyhexyl N-propylidenecarbamate is sourced from PubChem (CID 91503077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).