prop-2-enyl N-(5-hydroxypentyl)-N-methylcarbamate

C10H19NO3 — CID 107202841

IUPACprop-2-enyl N-(5-hydroxypentyl)-N-methylcarbamate
SMILESC=CCOC(=O)N(C)CCCCCO
InChIInChI=1S/C10H19NO3/c1-3-9-14-10(13)11(2)7-5-4-6-8-12/h3,12H,1,4-9H2,2H3
InChIKeyMNSZFYJCTMCAOO-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.40
Rot. Bonds7

About prop-2-enyl N-(5-hydroxypentyl)-N-methylcarbamate

prop-2-enyl N-(5-hydroxypentyl)-N-methylcarbamate (PubChem CID 107202841) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is prop-2-enyl N-(5-hydroxypentyl)-N-methylcarbamate.

Molecular Properties

Compound Nameprop-2-enyl N-(5-hydroxypentyl)-N-methylcarbamate
PubChem CID107202841
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nameprop-2-enyl N-(5-hydroxypentyl)-N-methylcarbamate
SMILESC=CCOC(=O)N(C)CCCCCO
InChIInChI=1S/C10H19NO3/c1-3-9-14-10(13)11(2)7-5-4-6-8-12/h3,12H,1,4-9H2,2H3
InChIKeyMNSZFYJCTMCAOO-UHFFFAOYSA-N
XLogP1.40
TPSA49.77 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 ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;prop-2-enyl N-ethyl-N-methylcarbamate
CID 142891984
ethyl N-[6-[ethoxycarbonyl(methyl)amino]hexyl]-N-methylcarbamate
CID 87185486
2,2-dimethyl-4-[methyl(prop-2-enoxycarbonyl)amino]butanoic acid
CID 167656889
5-hydroxypentyl(methyl)carbamic acid
CID 90197062
methyl N-(3-hydroxypropyl)-N-methylcarbamate
CID 119098587
(2S)-2-amino-N-(5-hydroxypentyl)-N-methylpropanamide
CID 107199234
ethyl N-methyl-N-octylcarbamate
CID 15790108
S-(pyridin-2-ylmethyl) 5-[methyl(prop-2-enoxycarbonyl)amino]pentanethioate
CID 22907985
4-hydroxybutyl acetate;prop-2-enyl acetate
CID 88766466
undecyl N-methyl-N-pentylcarbamate
CID 54297307
2,2-dimethyl-3-[methyl(prop-2-enoxycarbonyl)amino]propanoic acid
CID 164953178
prop-2-enyl N,N-bis(hydroxymethyl)carbamate
CID 54415471

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-(5-hydroxypentyl)-N-methylcarbamate?
The IUPAC name of prop-2-enyl N-(5-hydroxypentyl)-N-methylcarbamate (CID 107202841) is prop-2-enyl N-(5-hydroxypentyl)-N-methylcarbamate.
What is the SMILES notation for prop-2-enyl N-(5-hydroxypentyl)-N-methylcarbamate?
The canonical SMILES for prop-2-enyl N-(5-hydroxypentyl)-N-methylcarbamate is C=CCOC(=O)N(C)CCCCCO.
What is the InChIKey of prop-2-enyl N-(5-hydroxypentyl)-N-methylcarbamate?
The InChIKey is MNSZFYJCTMCAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-3-9-14-10(13)11(2)7-5-4-6-8-12/h3,12H,1,4-9H2,2H3.
What are the key properties of prop-2-enyl N-(5-hydroxypentyl)-N-methylcarbamate?
prop-2-enyl N-(5-hydroxypentyl)-N-methylcarbamate has a molecular weight of 201.27 g/mol, XLogP of 1.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-(5-hydroxypentyl)-N-methylcarbamate is sourced from PubChem (CID 107202841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).