methyl (Z)-3-(cyclohexanecarbonylamino)prop-2-enoate

C11H17NO3 — CID 71117934

IUPACmethyl (Z)-3-(cyclohexanecarbonylamino)prop-2-enoate
SMILESCOC(=O)/C=C\NC(=O)C1CCCCC1
InChIInChI=1S/C11H17NO3/c1-15-10(13)7-8-12-11(14)9-5-3-2-4-6-9/h7-9H,2-6H2,1H3,(H,12,14)/b8-7-
InChIKeyALOLVQYTWHWRSU-FPLPWBNLSA-N
MW211.26 g/mol
LogP1.37
Rot. Bonds3

About methyl (Z)-3-(cyclohexanecarbonylamino)prop-2-enoate

methyl (Z)-3-(cyclohexanecarbonylamino)prop-2-enoate (PubChem CID 71117934) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is methyl (Z)-3-(cyclohexanecarbonylamino)prop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-3-(cyclohexanecarbonylamino)prop-2-enoate
PubChem CID71117934
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Namemethyl (Z)-3-(cyclohexanecarbonylamino)prop-2-enoate
SMILESCOC(=O)/C=C\NC(=O)C1CCCCC1
InChIInChI=1S/C11H17NO3/c1-15-10(13)7-8-12-11(14)9-5-3-2-4-6-9/h7-9H,2-6H2,1H3,(H,12,14)/b8-7-
InChIKeyALOLVQYTWHWRSU-FPLPWBNLSA-N
XLogP1.37
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (E)-3-[2-(cyclopropanecarbonylamino)ethylamino]prop-2-enoate
CID 103265522
ethane;methyl cyclohexanecarboxylate
CID 90871014
N-methoxycyclopentanecarboxamide
CID 59130435
4-O-cyclopentyl 1-O-methyl (Z)-but-2-enedioate
CID 66902675
N-(2-methoxyethoxy)cyclohexanecarboxamide
CID 79675541
methyl (E)-3-dicyclohexylphosphanylprop-2-enoate
CID 101442082
methyl 3-(2-methylazepan-1-yl)prop-2-enoate
CID 79897147
methyl (E)-3-[5-(cyclohexanecarbonylamino)-2-methylphenyl]prop-2-enoate
CID 126716987
methyl (E)-3-cyclobutylprop-2-enoate
CID 79872692
N'-hydroxycyclohexanecarbohydrazide
CID 151692012
1-O-methyl 4-O-[2-(1-oxothiocan-3-yl)ethyl] but-2-enedioate
CID 123197729
bis[2-(cyclohexanecarbonylamino)-2-oxoethyl] (E)-but-2-enedioate
CID 55355546

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-3-(cyclohexanecarbonylamino)prop-2-enoate?
The IUPAC name of methyl (Z)-3-(cyclohexanecarbonylamino)prop-2-enoate (CID 71117934) is methyl (Z)-3-(cyclohexanecarbonylamino)prop-2-enoate.
What is the SMILES notation for methyl (Z)-3-(cyclohexanecarbonylamino)prop-2-enoate?
The canonical SMILES for methyl (Z)-3-(cyclohexanecarbonylamino)prop-2-enoate is COC(=O)/C=C\NC(=O)C1CCCCC1.
What is the InChIKey of methyl (Z)-3-(cyclohexanecarbonylamino)prop-2-enoate?
The InChIKey is ALOLVQYTWHWRSU-FPLPWBNLSA-N. The full InChI is InChI=1S/C11H17NO3/c1-15-10(13)7-8-12-11(14)9-5-3-2-4-6-9/h7-9H,2-6H2,1H3,(H,12,14)/b8-7-.
What are the key properties of methyl (Z)-3-(cyclohexanecarbonylamino)prop-2-enoate?
methyl (Z)-3-(cyclohexanecarbonylamino)prop-2-enoate has a molecular weight of 211.26 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-3-(cyclohexanecarbonylamino)prop-2-enoate is sourced from PubChem (CID 71117934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).