(E)-N-(cyclopropylmethyl)-3-(furan-2-yl)-N-prop-2-ynylprop-2-enamide

C14H15NO2 — CID 115532594

IUPAC(E)-N-(cyclopropylmethyl)-3-(furan-2-yl)-N-prop-2-ynylprop-2-enamide
SMILESC#CCN(CC1CC1)C(=O)/C=C/c1ccco1
InChIInChI=1S/C14H15NO2/c1-2-9-15(11-12-5-6-12)14(16)8-7-13-4-3-10-17-13/h1,3-4,7-8,10,12H,5-6,9,11H2/b8-7+
InChIKeyFMWJTUNYEMMVCO-BQYQJAHWSA-N
MW229.28 g/mol
LogP2.16
Rot. Bonds5

About (E)-N-(cyclopropylmethyl)-3-(furan-2-yl)-N-prop-2-ynylprop-2-enamide

(E)-N-(cyclopropylmethyl)-3-(furan-2-yl)-N-prop-2-ynylprop-2-enamide (PubChem CID 115532594) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is (E)-N-(cyclopropylmethyl)-3-(furan-2-yl)-N-prop-2-ynylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(cyclopropylmethyl)-3-(furan-2-yl)-N-prop-2-ynylprop-2-enamide
PubChem CID115532594
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name(E)-N-(cyclopropylmethyl)-3-(furan-2-yl)-N-prop-2-ynylprop-2-enamide
SMILESC#CCN(CC1CC1)C(=O)/C=C/c1ccco1
InChIInChI=1S/C14H15NO2/c1-2-9-15(11-12-5-6-12)14(16)8-7-13-4-3-10-17-13/h1,3-4,7-8,10,12H,5-6,9,11H2/b8-7+
InChIKeyFMWJTUNYEMMVCO-BQYQJAHWSA-N
XLogP2.16
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(cyclopropylmethyl)-3-(furan-2-yl)-N-prop-2-ynylprop-2-enamide?
The IUPAC name of (E)-N-(cyclopropylmethyl)-3-(furan-2-yl)-N-prop-2-ynylprop-2-enamide (CID 115532594) is (E)-N-(cyclopropylmethyl)-3-(furan-2-yl)-N-prop-2-ynylprop-2-enamide.
What is the SMILES notation for (E)-N-(cyclopropylmethyl)-3-(furan-2-yl)-N-prop-2-ynylprop-2-enamide?
The canonical SMILES for (E)-N-(cyclopropylmethyl)-3-(furan-2-yl)-N-prop-2-ynylprop-2-enamide is C#CCN(CC1CC1)C(=O)/C=C/c1ccco1.
What is the InChIKey of (E)-N-(cyclopropylmethyl)-3-(furan-2-yl)-N-prop-2-ynylprop-2-enamide?
The InChIKey is FMWJTUNYEMMVCO-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H15NO2/c1-2-9-15(11-12-5-6-12)14(16)8-7-13-4-3-10-17-13/h1,3-4,7-8,10,12H,5-6,9,11H2/b8-7+.
What are the key properties of (E)-N-(cyclopropylmethyl)-3-(furan-2-yl)-N-prop-2-ynylprop-2-enamide?
(E)-N-(cyclopropylmethyl)-3-(furan-2-yl)-N-prop-2-ynylprop-2-enamide has a molecular weight of 229.28 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(cyclopropylmethyl)-3-(furan-2-yl)-N-prop-2-ynylprop-2-enamide is sourced from PubChem (CID 115532594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).