methyl (Z)-2-ethyl-3-(methylamino)pent-2-enoate

C9H17NO2 — CID 146602633

IUPACmethyl (Z)-2-ethyl-3-(methylamino)pent-2-enoate
SMILESCC/C(NC)=C(\CC)C(=O)OC
InChIInChI=1S/C9H17NO2/c1-5-7(9(11)12-4)8(6-2)10-3/h10H,5-6H2,1-4H3/b8-7-
InChIKeyQRXZJKCCMXSCSD-FPLPWBNLSA-N
MW171.24 g/mol
LogP1.45
Rot. Bonds4

About methyl (Z)-2-ethyl-3-(methylamino)pent-2-enoate

methyl (Z)-2-ethyl-3-(methylamino)pent-2-enoate (PubChem CID 146602633) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is methyl (Z)-2-ethyl-3-(methylamino)pent-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-ethyl-3-(methylamino)pent-2-enoate
PubChem CID146602633
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Namemethyl (Z)-2-ethyl-3-(methylamino)pent-2-enoate
SMILESCC/C(NC)=C(\CC)C(=O)OC
InChIInChI=1S/C9H17NO2/c1-5-7(9(11)12-4)8(6-2)10-3/h10H,5-6H2,1-4H3/b8-7-
InChIKeyQRXZJKCCMXSCSD-FPLPWBNLSA-N
XLogP1.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl (Z)-2-ethyl-3-(methylamino)pent-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dimethyl (Z)-2-ethyl-3-[(Z)-prop-1-enyl]but-2-enedioate
CID 88960808
methyl 4-amino-2-ethyl-3-methylbut-2-enoate
CID 174518319
dimethyl 2,3-dipropylbut-2-enedioate
CID 86118404
methyl 3-amino-2-ethylhex-2-enoate
CID 174974827
dimethyl 2-decyl-3-ethylbut-2-enedioate
CID 123185855
dimethyl 2-ethyl-3-heptylbut-2-enedioate
CID 123502335
(E)-2-methyl-3-(methylamino)pent-2-enoic acid
CID 87166202
methyl 2-ethyl-3-methylnonadec-2-enoate
CID 175468450
dimethyl oxalate
CID 11120
(Z)-2-methyl-3-(methylamino)pent-2-enamide
CID 19089595
methyl 2-ethyl-3-fluoronon-2-enoate
CID 174824255
hydron;methyl 2-methylidenebutanoate
CID 174760127

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-2-ethyl-3-(methylamino)pent-2-enoate?
The IUPAC name of methyl (Z)-2-ethyl-3-(methylamino)pent-2-enoate (CID 146602633) is methyl (Z)-2-ethyl-3-(methylamino)pent-2-enoate.
What is the SMILES notation for methyl (Z)-2-ethyl-3-(methylamino)pent-2-enoate?
The canonical SMILES for methyl (Z)-2-ethyl-3-(methylamino)pent-2-enoate is CC/C(NC)=C(\CC)C(=O)OC.
What is the InChIKey of methyl (Z)-2-ethyl-3-(methylamino)pent-2-enoate?
The InChIKey is QRXZJKCCMXSCSD-FPLPWBNLSA-N. The full InChI is InChI=1S/C9H17NO2/c1-5-7(9(11)12-4)8(6-2)10-3/h10H,5-6H2,1-4H3/b8-7-.
What are the key properties of methyl (Z)-2-ethyl-3-(methylamino)pent-2-enoate?
methyl (Z)-2-ethyl-3-(methylamino)pent-2-enoate has a molecular weight of 171.24 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2-ethyl-3-(methylamino)pent-2-enoate is sourced from PubChem (CID 146602633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).