(E)-3-cyclopropyl-N-methoxy-N-methylprop-2-enamide

C8H13NO2 — CID 11030053

IUPAC(E)-3-cyclopropyl-N-methoxy-N-methylprop-2-enamide
SMILESCON(C)C(=O)/C=C/C1CC1
InChIInChI=1S/C8H13NO2/c1-9(11-2)8(10)6-5-7-3-4-7/h5-7H,3-4H2,1-2H3/b6-5+
InChIKeyPTDCJKFUWLNJDN-AATRIKPKSA-N
MW155.20 g/mol
LogP0.97
Rot. Bonds3

About (E)-3-cyclopropyl-N-methoxy-N-methylprop-2-enamide

(E)-3-cyclopropyl-N-methoxy-N-methylprop-2-enamide (PubChem CID 11030053) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (E)-3-cyclopropyl-N-methoxy-N-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-cyclopropyl-N-methoxy-N-methylprop-2-enamide
PubChem CID11030053
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(E)-3-cyclopropyl-N-methoxy-N-methylprop-2-enamide
SMILESCON(C)C(=O)/C=C/C1CC1
InChIInChI=1S/C8H13NO2/c1-9(11-2)8(10)6-5-7-3-4-7/h5-7H,3-4H2,1-2H3/b6-5+
InChIKeyPTDCJKFUWLNJDN-AATRIKPKSA-N
XLogP0.97
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-cyclopropyl-N-methoxy-N-methylprop-2-enamide?
The IUPAC name of (E)-3-cyclopropyl-N-methoxy-N-methylprop-2-enamide (CID 11030053) is (E)-3-cyclopropyl-N-methoxy-N-methylprop-2-enamide.
What is the SMILES notation for (E)-3-cyclopropyl-N-methoxy-N-methylprop-2-enamide?
The canonical SMILES for (E)-3-cyclopropyl-N-methoxy-N-methylprop-2-enamide is CON(C)C(=O)/C=C/C1CC1.
What is the InChIKey of (E)-3-cyclopropyl-N-methoxy-N-methylprop-2-enamide?
The InChIKey is PTDCJKFUWLNJDN-AATRIKPKSA-N. The full InChI is InChI=1S/C8H13NO2/c1-9(11-2)8(10)6-5-7-3-4-7/h5-7H,3-4H2,1-2H3/b6-5+.
What are the key properties of (E)-3-cyclopropyl-N-methoxy-N-methylprop-2-enamide?
(E)-3-cyclopropyl-N-methoxy-N-methylprop-2-enamide has a molecular weight of 155.20 g/mol, XLogP of 0.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-cyclopropyl-N-methoxy-N-methylprop-2-enamide is sourced from PubChem (CID 11030053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).