1-(carbonochloridoylamino)ethyl 2-methylprop-2-enoate

C7H10ClNO3 — CID 140721028

IUPAC1-(carbonochloridoylamino)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)NC(=O)Cl
InChIInChI=1S/C7H10ClNO3/c1-4(2)6(10)12-5(3)9-7(8)11/h5H,1H2,2-3H3,(H,9,11)
InChIKeyFMVDWPCTFISRFT-UHFFFAOYSA-N
MW191.61 g/mol
LogP1.40
Rot. Bonds3

About 1-(carbonochloridoylamino)ethyl 2-methylprop-2-enoate

1-(carbonochloridoylamino)ethyl 2-methylprop-2-enoate (PubChem CID 140721028) has the molecular formula C7H10ClNO3 and a molecular weight of 191.61 g/mol. Its IUPAC name is 1-(carbonochloridoylamino)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1-(carbonochloridoylamino)ethyl 2-methylprop-2-enoate
PubChem CID140721028
Molecular FormulaC7H10ClNO3
Molecular Weight191.61 g/mol
Exact Mass191.03
IUPAC Name1-(carbonochloridoylamino)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)NC(=O)Cl
InChIInChI=1S/C7H10ClNO3/c1-4(2)6(10)12-5(3)9-7(8)11/h5H,1H2,2-3H3,(H,9,11)
InChIKeyFMVDWPCTFISRFT-UHFFFAOYSA-N
XLogP1.40
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.61
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

propan-2-yl 2-methylprop-2-enoate
CID 146421311
1-(ethenylamino)ethyl 2-methylprop-2-enoate
CID 87899404
[(2R,3R)-3-(2-methylprop-2-enoyloxy)butan-2-yl] 2-methylprop-2-enoate
CID 91001649
2-[1-(2-methylprop-2-enoyloxy)ethylamino]acetic acid
CID 174779990
1-(ethoxycarbonylamino)ethyl 2-methylprop-2-enoate;propane-1,2-diol
CID 174490728
benzene;propan-2-yl 2-methylprop-2-enoate
CID 174524984
1-acetyloxyethyl 2-methylprop-2-enoate
CID 18517368
(1-hydroxy-2-methylpropyl) 2-methylprop-2-enoate
CID 54304297
[(2S,4S)-4-(2-methylprop-2-enoyloxy)pentan-2-yl] 2-methylprop-2-enoate
CID 101184166
1-(1,1-diethoxyethylamino)ethyl 2-methylprop-2-enoate
CID 139878668
diaminomethyl 2-methylprop-2-enoate
CID 18522879
2,2-bis(2-methylprop-2-enoyloxy)acetic acid
CID 56621773

Frequently Asked Questions

What is the IUPAC name of 1-(carbonochloridoylamino)ethyl 2-methylprop-2-enoate?
The IUPAC name of 1-(carbonochloridoylamino)ethyl 2-methylprop-2-enoate (CID 140721028) is 1-(carbonochloridoylamino)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 1-(carbonochloridoylamino)ethyl 2-methylprop-2-enoate?
The canonical SMILES for 1-(carbonochloridoylamino)ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)NC(=O)Cl.
What is the InChIKey of 1-(carbonochloridoylamino)ethyl 2-methylprop-2-enoate?
The InChIKey is FMVDWPCTFISRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClNO3/c1-4(2)6(10)12-5(3)9-7(8)11/h5H,1H2,2-3H3,(H,9,11).
What are the key properties of 1-(carbonochloridoylamino)ethyl 2-methylprop-2-enoate?
1-(carbonochloridoylamino)ethyl 2-methylprop-2-enoate has a molecular weight of 191.61 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(carbonochloridoylamino)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 140721028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).