propyl 2-(dimethylamino)hept-2-enoate

C12H23NO2 — CID 174698388

IUPACpropyl 2-(dimethylamino)hept-2-enoate
SMILESCCCCC=C(C(=O)OCCC)N(C)C
InChIInChI=1S/C12H23NO2/c1-5-7-8-9-11(13(3)4)12(14)15-10-6-2/h9H,5-8,10H2,1-4H3
InChIKeyLEVNZRVXMQLORO-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.58
Rot. Bonds7

About propyl 2-(dimethylamino)hept-2-enoate

propyl 2-(dimethylamino)hept-2-enoate (PubChem CID 174698388) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is propyl 2-(dimethylamino)hept-2-enoate.

Molecular Properties

Compound Namepropyl 2-(dimethylamino)hept-2-enoate
PubChem CID174698388
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Namepropyl 2-(dimethylamino)hept-2-enoate
SMILESCCCCC=C(C(=O)OCCC)N(C)C
InChIInChI=1S/C12H23NO2/c1-5-7-8-9-11(13(3)4)12(14)15-10-6-2/h9H,5-8,10H2,1-4H3
InChIKeyLEVNZRVXMQLORO-UHFFFAOYSA-N
XLogP2.58
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

propyl 2-hydroxyhept-2-enoate
CID 87467247
propyl (E)-2-methylhept-2-enoate
CID 13122849
propyl 2-methyltridec-2-enoate
CID 174821186
propyl 2-ethyldodec-2-enoate
CID 175495341
2-hydroxyethyl 2-methylhept-2-enoate
CID 154084583
3-butoxycarbonyloct-3-enoic acid
CID 54112020
dodecyl 2-pentylidenedecanoate
CID 173439479
dodecyl 2-methylhenicos-2-enoate
CID 57172953
nonyl 2-methylnon-2-enoate
CID 175301846
icosyl 2-methyltricos-2-enoate
CID 90881383
heptyl 2-methylundec-2-enoate
CID 174231744
heptyl 2-methylhexadec-2-enoate
CID 174820936

Frequently Asked Questions

What is the IUPAC name of propyl 2-(dimethylamino)hept-2-enoate?
The IUPAC name of propyl 2-(dimethylamino)hept-2-enoate (CID 174698388) is propyl 2-(dimethylamino)hept-2-enoate.
What is the SMILES notation for propyl 2-(dimethylamino)hept-2-enoate?
The canonical SMILES for propyl 2-(dimethylamino)hept-2-enoate is CCCCC=C(C(=O)OCCC)N(C)C.
What is the InChIKey of propyl 2-(dimethylamino)hept-2-enoate?
The InChIKey is LEVNZRVXMQLORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-5-7-8-9-11(13(3)4)12(14)15-10-6-2/h9H,5-8,10H2,1-4H3.
What are the key properties of propyl 2-(dimethylamino)hept-2-enoate?
propyl 2-(dimethylamino)hept-2-enoate has a molecular weight of 213.32 g/mol, XLogP of 2.58, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-(dimethylamino)hept-2-enoate is sourced from PubChem (CID 174698388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).