[(Z)-5-aminopent-3-enyl] formate

C6H11NO2 — CID 144716376

IUPAC[(Z)-5-aminopent-3-enyl] formate
SMILESNC/C=C\CCOC=O
InChIInChI=1S/C6H11NO2/c7-4-2-1-3-5-9-6-8/h1-2,6H,3-5,7H2/b2-1-
InChIKeyMSAFYQPGPDWPFP-UPHRSURJSA-N
MW129.16 g/mol
LogP0.06
Rot. Bonds5

About [(Z)-5-aminopent-3-enyl] formate

[(Z)-5-aminopent-3-enyl] formate (PubChem CID 144716376) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is [(Z)-5-aminopent-3-enyl] formate.

Molecular Properties

Compound Name[(Z)-5-aminopent-3-enyl] formate
PubChem CID144716376
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name[(Z)-5-aminopent-3-enyl] formate
SMILESNC/C=C\CCOC=O
InChIInChI=1S/C6H11NO2/c7-4-2-1-3-5-9-6-8/h1-2,6H,3-5,7H2/b2-1-
InChIKeyMSAFYQPGPDWPFP-UPHRSURJSA-N
XLogP0.06
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.06
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(E)-pent-3-enyl] formate
CID 14644551
[(E)-5-methylsulfonyloxypent-3-enyl] formate
CID 87347745
but-3-enyl formate
CID 10909500
4-aminobutyl formate
CID 54484676
5-(4-chlorophenyl)pent-3-enyl formate
CID 91804697
4-phenylbut-3-enyl formate
CID 91350820
2-iodoethyl formate
CID 18329598
2-(2-aminoethylsulfonyl)ethyl formate
CID 57288433
3-aminopropyl formate;propan-2-amine
CID 175555477
2-bromoethyl formate;ethane
CID 143917074
(4-amino-4-oxobutyl) formate
CID 22928633
4,7-diaminoheptyl formate
CID 87299932

Frequently Asked Questions

What is the IUPAC name of [(Z)-5-aminopent-3-enyl] formate?
The IUPAC name of [(Z)-5-aminopent-3-enyl] formate (CID 144716376) is [(Z)-5-aminopent-3-enyl] formate.
What is the SMILES notation for [(Z)-5-aminopent-3-enyl] formate?
The canonical SMILES for [(Z)-5-aminopent-3-enyl] formate is NC/C=C\CCOC=O.
What is the InChIKey of [(Z)-5-aminopent-3-enyl] formate?
The InChIKey is MSAFYQPGPDWPFP-UPHRSURJSA-N. The full InChI is InChI=1S/C6H11NO2/c7-4-2-1-3-5-9-6-8/h1-2,6H,3-5,7H2/b2-1-.
What are the key properties of [(Z)-5-aminopent-3-enyl] formate?
[(Z)-5-aminopent-3-enyl] formate has a molecular weight of 129.16 g/mol, XLogP of 0.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-5-aminopent-3-enyl] formate is sourced from PubChem (CID 144716376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).