5-hydroxypentyl N-methylcarbamate

C7H15NO3 — CID 138694704

IUPAC5-hydroxypentyl N-methylcarbamate
SMILESCNC(=O)OCCCCCO
InChIInChI=1S/C7H15NO3/c1-8-7(10)11-6-4-2-3-5-9/h9H,2-6H2,1H3,(H,8,10)
InChIKeyJVQOPEBJJDPMOW-UHFFFAOYSA-N
MW161.20 g/mol
LogP0.50
Rot. Bonds5

About 5-hydroxypentyl N-methylcarbamate

5-hydroxypentyl N-methylcarbamate (PubChem CID 138694704) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is 5-hydroxypentyl N-methylcarbamate.

Molecular Properties

Compound Name5-hydroxypentyl N-methylcarbamate
PubChem CID138694704
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name5-hydroxypentyl N-methylcarbamate
SMILESCNC(=O)OCCCCCO
InChIInChI=1S/C7H15NO3/c1-8-7(10)11-6-4-2-3-5-9/h9H,2-6H2,1H3,(H,8,10)
InChIKeyJVQOPEBJJDPMOW-UHFFFAOYSA-N
XLogP0.50
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(methylcarbamoyloxy)pentyl N-methylcarbamate
CID 59800394
3-(2-hydroxyethylsulfanyl)propyl N-methylcarbamate
CID 172550897
4-hydroxybutyl N-[4-(4-hydroxybutoxycarbonylamino)butyl]carbamate
CID 175946939
6-(6-hydroxyhexoxycarbonyloxy)hexyl 6-hydroxyhexyl carbonate
CID 21031358
bis(5-hydroxypentyl) carbonate
CID 54559104
octadec-9-enyl N-methylcarbamate
CID 123820501
3-O-(16-hydroxyhexadecyl) 1-O-methyl propanedioate
CID 10546340
9-hydroxynonyl propanoate
CID 90020173
12-hydroxydodecyl 2-methylpropanoate
CID 15120440
16-hydroxyhexadecyl 2-methylpropanoate
CID 134918438
4,4-dimethylpentyl N-methylcarbamate;ethane
CID 159375955
3-[2-(2-methoxyethoxy)ethoxy]propyl N-methylcarbamate
CID 177295921

Frequently Asked Questions

What is the IUPAC name of 5-hydroxypentyl N-methylcarbamate?
The IUPAC name of 5-hydroxypentyl N-methylcarbamate (CID 138694704) is 5-hydroxypentyl N-methylcarbamate.
What is the SMILES notation for 5-hydroxypentyl N-methylcarbamate?
The canonical SMILES for 5-hydroxypentyl N-methylcarbamate is CNC(=O)OCCCCCO.
What is the InChIKey of 5-hydroxypentyl N-methylcarbamate?
The InChIKey is JVQOPEBJJDPMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c1-8-7(10)11-6-4-2-3-5-9/h9H,2-6H2,1H3,(H,8,10).
What are the key properties of 5-hydroxypentyl N-methylcarbamate?
5-hydroxypentyl N-methylcarbamate has a molecular weight of 161.20 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxypentyl N-methylcarbamate is sourced from PubChem (CID 138694704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).