aminomethyl (Z)-hept-4-enoate

C8H15NO2 — CID 163532586

IUPACaminomethyl (Z)-hept-4-enoate
SMILESCC/C=C\CCC(=O)OCN
InChIInChI=1S/C8H15NO2/c1-2-3-4-5-6-8(10)11-7-9/h3-4H,2,5-7,9H2,1H3/b4-3-
InChIKeyDUGMFZPHBOBMGJ-ARJAWSKDSA-N
MW157.21 g/mol
LogP1.19
Rot. Bonds5

About aminomethyl (Z)-hept-4-enoate

aminomethyl (Z)-hept-4-enoate (PubChem CID 163532586) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is aminomethyl (Z)-hept-4-enoate.

Molecular Properties

Compound Nameaminomethyl (Z)-hept-4-enoate
PubChem CID163532586
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Nameaminomethyl (Z)-hept-4-enoate
SMILESCC/C=C\CCC(=O)OCN
InChIInChI=1S/C8H15NO2/c1-2-3-4-5-6-8(10)11-7-9/h3-4H,2,5-7,9H2,1H3/b4-3-
InChIKeyDUGMFZPHBOBMGJ-ARJAWSKDSA-N
XLogP1.19
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(E)-hept-4-enoyl] (E)-hept-4-enoate
CID 22081122
ethyl (4Z,7E,10E,13Z,16E,19E)-docosa-4,7,10,13,16,19-hexaenoate
CID 53249755
prop-2-enyl docosa-4,7,10,13,16,19-hexaenoate
CID 91333879
(2-aminoacetyl) (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
CID 163810867
prop-2-enyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
CID 87748807
bis(nona-2,6-dienyl) butanedioate
CID 172814579
methyl (4E,7E)-deca-4,7-dienoate
CID 102118317
2-(dimethylamino)ethyl docosa-4,7,10,13,16,19-hexaenoate
CID 54467416
2,3-bis[[(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoyl]oxy]propyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
CID 165308031
1-O-ethyl 4-O-[(E)-hex-3-enyl] butanedioate
CID 91697922
aminomethyl pent-4-enoate
CID 123806014
ethyl tetradeca-4,8,12-trienoate
CID 141176666

Frequently Asked Questions

What is the IUPAC name of aminomethyl (Z)-hept-4-enoate?
The IUPAC name of aminomethyl (Z)-hept-4-enoate (CID 163532586) is aminomethyl (Z)-hept-4-enoate.
What is the SMILES notation for aminomethyl (Z)-hept-4-enoate?
The canonical SMILES for aminomethyl (Z)-hept-4-enoate is CC/C=C\CCC(=O)OCN.
What is the InChIKey of aminomethyl (Z)-hept-4-enoate?
The InChIKey is DUGMFZPHBOBMGJ-ARJAWSKDSA-N. The full InChI is InChI=1S/C8H15NO2/c1-2-3-4-5-6-8(10)11-7-9/h3-4H,2,5-7,9H2,1H3/b4-3-.
What are the key properties of aminomethyl (Z)-hept-4-enoate?
aminomethyl (Z)-hept-4-enoate has a molecular weight of 157.21 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for aminomethyl (Z)-hept-4-enoate is sourced from PubChem (CID 163532586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).