ethyl N-(5-oxopentyl)carbamate

C8H15NO3 — CID 58601506

IUPACethyl N-(5-oxopentyl)carbamate
SMILESCCOC(=O)NCCCCC=O
InChIInChI=1S/C8H15NO3/c1-2-12-8(11)9-6-4-3-5-7-10/h7H,2-6H2,1H3,(H,9,11)
InChIKeyVWMVYCFWZZPTQN-UHFFFAOYSA-N
MW173.21 g/mol
LogP1.10
Rot. Bonds6

About ethyl N-(5-oxopentyl)carbamate

ethyl N-(5-oxopentyl)carbamate (PubChem CID 58601506) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is ethyl N-(5-oxopentyl)carbamate.

Molecular Properties

Compound Nameethyl N-(5-oxopentyl)carbamate
PubChem CID58601506
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Nameethyl N-(5-oxopentyl)carbamate
SMILESCCOC(=O)NCCCCC=O
InChIInChI=1S/C8H15NO3/c1-2-12-8(11)9-6-4-3-5-7-10/h7H,2-6H2,1H3,(H,9,11)
InChIKeyVWMVYCFWZZPTQN-UHFFFAOYSA-N
XLogP1.10
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 102467257
ethyl N-pentylcarbamate;molecular hydrogen
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ethyl N-[2-(butylcarbamoylamino)ethyl]carbamate
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CID 90701699
heptanal;hexylcarbamic acid
CID 158316661
ethyl N-[2-(methylamino)ethyl]carbamate
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ethyl N-propylcarbamate
CID 12199
ethyl 4-(ethoxycarbonylamino)butanoate
CID 14140662
5-(ethoxycarbonylamino)pentyl ethyl carbonate
CID 91703064
tert-butyl N-[3-(6-oxohexylamino)propyl]carbamate
CID 142525218
ethyl 6-[6-(ethoxycarbonylamino)hexanoylamino]hexanoate
CID 91705286

Frequently Asked Questions

What is the IUPAC name of ethyl N-(5-oxopentyl)carbamate?
The IUPAC name of ethyl N-(5-oxopentyl)carbamate (CID 58601506) is ethyl N-(5-oxopentyl)carbamate.
What is the SMILES notation for ethyl N-(5-oxopentyl)carbamate?
The canonical SMILES for ethyl N-(5-oxopentyl)carbamate is CCOC(=O)NCCCCC=O.
What is the InChIKey of ethyl N-(5-oxopentyl)carbamate?
The InChIKey is VWMVYCFWZZPTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-2-12-8(11)9-6-4-3-5-7-10/h7H,2-6H2,1H3,(H,9,11).
What are the key properties of ethyl N-(5-oxopentyl)carbamate?
ethyl N-(5-oxopentyl)carbamate has a molecular weight of 173.21 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(5-oxopentyl)carbamate is sourced from PubChem (CID 58601506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).