methyl (E)-3-(cyclobutylmethylamino)prop-2-enoate

C9H15NO2 — CID 103237447

IUPACmethyl (E)-3-(cyclobutylmethylamino)prop-2-enoate
SMILESCOC(=O)/C=C/NCC1CCC1
InChIInChI=1S/C9H15NO2/c1-12-9(11)5-6-10-7-8-3-2-4-8/h5-6,8,10H,2-4,7H2,1H3/b6-5+
InChIKeyNLOZCTVIZRAKFQ-AATRIKPKSA-N
MW169.22 g/mol
LogP1.06
Rot. Bonds4

About methyl (E)-3-(cyclobutylmethylamino)prop-2-enoate

methyl (E)-3-(cyclobutylmethylamino)prop-2-enoate (PubChem CID 103237447) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is methyl (E)-3-(cyclobutylmethylamino)prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-(cyclobutylmethylamino)prop-2-enoate
PubChem CID103237447
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Namemethyl (E)-3-(cyclobutylmethylamino)prop-2-enoate
SMILESCOC(=O)/C=C/NCC1CCC1
InChIInChI=1S/C9H15NO2/c1-12-9(11)5-6-10-7-8-3-2-4-8/h5-6,8,10H,2-4,7H2,1H3/b6-5+
InChIKeyNLOZCTVIZRAKFQ-AATRIKPKSA-N
XLogP1.06
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 ≤ 51.06
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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Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-(cyclobutylmethylamino)prop-2-enoate?
The IUPAC name of methyl (E)-3-(cyclobutylmethylamino)prop-2-enoate (CID 103237447) is methyl (E)-3-(cyclobutylmethylamino)prop-2-enoate.
What is the SMILES notation for methyl (E)-3-(cyclobutylmethylamino)prop-2-enoate?
The canonical SMILES for methyl (E)-3-(cyclobutylmethylamino)prop-2-enoate is COC(=O)/C=C/NCC1CCC1.
What is the InChIKey of methyl (E)-3-(cyclobutylmethylamino)prop-2-enoate?
The InChIKey is NLOZCTVIZRAKFQ-AATRIKPKSA-N. The full InChI is InChI=1S/C9H15NO2/c1-12-9(11)5-6-10-7-8-3-2-4-8/h5-6,8,10H,2-4,7H2,1H3/b6-5+.
What are the key properties of methyl (E)-3-(cyclobutylmethylamino)prop-2-enoate?
methyl (E)-3-(cyclobutylmethylamino)prop-2-enoate has a molecular weight of 169.22 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-(cyclobutylmethylamino)prop-2-enoate is sourced from PubChem (CID 103237447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).