butyl N-(5-hydroxypent-1-en-3-yl)carbamate

C10H19NO3 — CID 172715433

IUPACbutyl N-(5-hydroxypent-1-en-3-yl)carbamate
SMILESC=CC(CCO)NC(=O)OCCCC
InChIInChI=1S/C10H19NO3/c1-3-5-8-14-10(13)11-9(4-2)6-7-12/h4,9,12H,2-3,5-8H2,1H3,(H,11,13)
InChIKeyFULATMSBGXOWGC-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.45
Rot. Bonds7

About butyl N-(5-hydroxypent-1-en-3-yl)carbamate

butyl N-(5-hydroxypent-1-en-3-yl)carbamate (PubChem CID 172715433) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is butyl N-(5-hydroxypent-1-en-3-yl)carbamate.

Molecular Properties

Compound Namebutyl N-(5-hydroxypent-1-en-3-yl)carbamate
PubChem CID172715433
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Namebutyl N-(5-hydroxypent-1-en-3-yl)carbamate
SMILESC=CC(CCO)NC(=O)OCCCC
InChIInChI=1S/C10H19NO3/c1-3-5-8-14-10(13)11-9(4-2)6-7-12/h4,9,12H,2-3,5-8H2,1H3,(H,11,13)
InChIKeyFULATMSBGXOWGC-UHFFFAOYSA-N
XLogP1.45
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.45
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of butyl N-(5-hydroxypent-1-en-3-yl)carbamate?
The IUPAC name of butyl N-(5-hydroxypent-1-en-3-yl)carbamate (CID 172715433) is butyl N-(5-hydroxypent-1-en-3-yl)carbamate.
What is the SMILES notation for butyl N-(5-hydroxypent-1-en-3-yl)carbamate?
The canonical SMILES for butyl N-(5-hydroxypent-1-en-3-yl)carbamate is C=CC(CCO)NC(=O)OCCCC.
What is the InChIKey of butyl N-(5-hydroxypent-1-en-3-yl)carbamate?
The InChIKey is FULATMSBGXOWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-3-5-8-14-10(13)11-9(4-2)6-7-12/h4,9,12H,2-3,5-8H2,1H3,(H,11,13).
What are the key properties of butyl N-(5-hydroxypent-1-en-3-yl)carbamate?
butyl N-(5-hydroxypent-1-en-3-yl)carbamate has a molecular weight of 201.27 g/mol, XLogP of 1.45, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-(5-hydroxypent-1-en-3-yl)carbamate is sourced from PubChem (CID 172715433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).