prop-2-enyl 6-formamidohexanoate

C10H17NO3 — CID 12006461

IUPACprop-2-enyl 6-formamidohexanoate
SMILESC=CCOC(=O)CCCCCNC=O
InChIInChI=1S/C10H17NO3/c1-2-8-14-10(13)6-4-3-5-7-11-9-12/h2,9H,1,3-8H2,(H,11,12)
InChIKeyJNNUSPRZSJREQD-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.02
Rot. Bonds9

About prop-2-enyl 6-formamidohexanoate

prop-2-enyl 6-formamidohexanoate (PubChem CID 12006461) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is prop-2-enyl 6-formamidohexanoate.

Molecular Properties

Compound Nameprop-2-enyl 6-formamidohexanoate
PubChem CID12006461
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Nameprop-2-enyl 6-formamidohexanoate
SMILESC=CCOC(=O)CCCCCNC=O
InChIInChI=1S/C10H17NO3/c1-2-8-14-10(13)6-4-3-5-7-11-9-12/h2,9H,1,3-8H2,(H,11,12)
InChIKeyJNNUSPRZSJREQD-UHFFFAOYSA-N
XLogP1.02
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.02
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

propyl 7-formamidoheptanoate
CID 54319658
10-O-ethenyl 1-O-prop-2-enyl decanedioate
CID 87433585
8-oxo-8-prop-2-enoxyoctanoic acid
CID 71357331
prop-2-enyl 6-[6-(6-aminohexanoylamino)hexanoylamino]hexanoate
CID 12006460
prop-2-enyl tridecanoate
CID 91752122
prop-2-enyl pentadecanoate
CID 87531612
bis(prop-2-enyl) but-2-enedioate;bis(prop-2-enyl) hexanedioate
CID 173434680
prop-2-enyl 4-hydroxybutanoate
CID 11367059
1,3-dioxolan-2-ylmethyl 6-formamidohexanoate
CID 142134217
2,2-difluoroethyl 4-formamidobutanoate
CID 166769091
prop-2-enyl 7,7-dimethyloctanoate
CID 87357056
5-oxo-5-prop-2-enoxypentanoate
CID 22245436

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 6-formamidohexanoate?
The IUPAC name of prop-2-enyl 6-formamidohexanoate (CID 12006461) is prop-2-enyl 6-formamidohexanoate.
What is the SMILES notation for prop-2-enyl 6-formamidohexanoate?
The canonical SMILES for prop-2-enyl 6-formamidohexanoate is C=CCOC(=O)CCCCCNC=O.
What is the InChIKey of prop-2-enyl 6-formamidohexanoate?
The InChIKey is JNNUSPRZSJREQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-2-8-14-10(13)6-4-3-5-7-11-9-12/h2,9H,1,3-8H2,(H,11,12).
What are the key properties of prop-2-enyl 6-formamidohexanoate?
prop-2-enyl 6-formamidohexanoate has a molecular weight of 199.25 g/mol, XLogP of 1.02, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 6-formamidohexanoate is sourced from PubChem (CID 12006461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).