methylamino (E)-2-[(Z)-prop-1-enyl]pent-2-enoate

C9H15NO2 — CID 163442754

IUPACmethylamino (E)-2-[(Z)-prop-1-enyl]pent-2-enoate
SMILESC/C=C\C(=C/CC)C(=O)ONC
InChIInChI=1S/C9H15NO2/c1-4-6-8(7-5-2)9(11)12-10-3/h4,6-7,10H,5H2,1-3H3/b6-4-,8-7+
InChIKeyAZXPNCQKOUTPGO-IQTBQJLQSA-N
MW169.22 g/mol
LogP1.58
Rot. Bonds4

About methylamino (E)-2-[(Z)-prop-1-enyl]pent-2-enoate

methylamino (E)-2-[(Z)-prop-1-enyl]pent-2-enoate (PubChem CID 163442754) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is methylamino (E)-2-[(Z)-prop-1-enyl]pent-2-enoate.

Molecular Properties

Compound Namemethylamino (E)-2-[(Z)-prop-1-enyl]pent-2-enoate
PubChem CID163442754
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Namemethylamino (E)-2-[(Z)-prop-1-enyl]pent-2-enoate
SMILESC/C=C\C(=C/CC)C(=O)ONC
InChIInChI=1S/C9H15NO2/c1-4-6-8(7-5-2)9(11)12-10-3/h4,6-7,10H,5H2,1-3H3/b6-4-,8-7+
InChIKeyAZXPNCQKOUTPGO-IQTBQJLQSA-N
XLogP1.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

ethyl (E)-2-[(E)-prop-1-enyl]pent-2-enoate
CID 46873133
(E)-2-[(E)-prop-1-enyl]pent-2-enoic acid
CID 14178880
4-ethylidene-5-methylocta-2,5-diene
CID 123325862
[(2Z,4E)-7-methylocta-2,4,6-trien-4-yl] (Z,2E)-5-methyl-2-propylidenehex-3-enoate
CID 143376285
methyl (2E)-2-[(E)-prop-1-enyl]trideca-2,12-dienoate
CID 134979438
methylamino 2-methylhept-2-enoate
CID 174825179
2-methoxyethyl 2-ethylidenepent-3-enoate
CID 123997768
ethane;methyl (E)-2-ethenylpent-2-enoate
CID 142289174
[(2E,4Z,5E)-4-(2-methylprop-2-enylidene)-5-[(Z)-prop-1-enyl]octa-2,5-dien-3-yl]carbamic acid
CID 129050133
(2Z,3Z,5E)-5-chloro-N-methyl-2-propylidenehepta-3,5-dienamide
CID 162732303
ethane;N-[(2Z,4E)-hepta-2,4-dien-4-yl]acetamide
CID 143775186
(1E,3E)-2-[(Z)-but-1-enyl]-3-[(Z)-prop-1-enyl]hexa-1,3-dien-1-amine
CID 143918138

Frequently Asked Questions

What is the IUPAC name of methylamino (E)-2-[(Z)-prop-1-enyl]pent-2-enoate?
The IUPAC name of methylamino (E)-2-[(Z)-prop-1-enyl]pent-2-enoate (CID 163442754) is methylamino (E)-2-[(Z)-prop-1-enyl]pent-2-enoate.
What is the SMILES notation for methylamino (E)-2-[(Z)-prop-1-enyl]pent-2-enoate?
The canonical SMILES for methylamino (E)-2-[(Z)-prop-1-enyl]pent-2-enoate is C/C=C\C(=C/CC)C(=O)ONC.
What is the InChIKey of methylamino (E)-2-[(Z)-prop-1-enyl]pent-2-enoate?
The InChIKey is AZXPNCQKOUTPGO-IQTBQJLQSA-N. The full InChI is InChI=1S/C9H15NO2/c1-4-6-8(7-5-2)9(11)12-10-3/h4,6-7,10H,5H2,1-3H3/b6-4-,8-7+.
What are the key properties of methylamino (E)-2-[(Z)-prop-1-enyl]pent-2-enoate?
methylamino (E)-2-[(Z)-prop-1-enyl]pent-2-enoate has a molecular weight of 169.22 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methylamino (E)-2-[(Z)-prop-1-enyl]pent-2-enoate is sourced from PubChem (CID 163442754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).