(E)-3-(furan-2-yl)-N-iminoprop-2-enamide

C7H6N2O2 — CID 126729442

IUPAC(E)-3-(furan-2-yl)-N-iminoprop-2-enamide
SMILES[H]/N=N/C(=O)/C=C/c1ccco1
InChIInChI=1S/C7H6N2O2/c8-9-7(10)4-3-6-2-1-5-11-6/h1-5,8H/b4-3+,9-8+
InChIKeyKGJBCLYCZMOFLU-DDJGDYJSSA-N
MW150.14 g/mol
LogP1.85
Rot. Bonds2

About (E)-3-(furan-2-yl)-N-iminoprop-2-enamide

(E)-3-(furan-2-yl)-N-iminoprop-2-enamide (PubChem CID 126729442) has the molecular formula C7H6N2O2 and a molecular weight of 150.14 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-iminoprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-iminoprop-2-enamide
PubChem CID126729442
Molecular FormulaC7H6N2O2
Molecular Weight150.14 g/mol
Exact Mass150.04
IUPAC Name(E)-3-(furan-2-yl)-N-iminoprop-2-enamide
SMILES[H]/N=N/C(=O)/C=C/c1ccco1
InChIInChI=1S/C7H6N2O2/c8-9-7(10)4-3-6-2-1-5-11-6/h1-5,8H/b4-3+,9-8+
InChIKeyKGJBCLYCZMOFLU-DDJGDYJSSA-N
XLogP1.85
TPSA66.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

CID 59090942
CID 59090942
3-(furan-2-yl)prop-2-enoic acid
CID 159116571
3-(furan-2-yl)prop-2-enoyl chloride
CID 53411285
(E)-3-(furan-2-yl)-N,N-dimethylprop-2-enamide
CID 11480633
(E)-1-amino-4-(furan-2-yl)but-3-en-2-one
CID 82502541
(1E,4Z)-1-(furan-2-yl)-5-phenylpenta-1,4-dien-3-one
CID 92904073
N-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]hydroxylamine
CID 6926110
(E)-3-(furan-2-yl)-N-(hydroxymethyl)prop-2-enamide
CID 131239465
(2Z,4E)-5-(furan-2-yl)-3-methylpenta-2,4-dienoic acid
CID 774945
(4-carbamimidoylphenyl) (E)-3-(furan-2-yl)prop-2-enoate
CID 21272949
4-(furan-2-yl)but-3-ene-2-thione
CID 170923429
[3-[3-(furan-2-yl)prop-2-enoyloxy]-2-oxopropyl] 3-(furan-2-yl)prop-2-enoate
CID 3400070

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-N-iminoprop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-iminoprop-2-enamide (CID 126729442) is (E)-3-(furan-2-yl)-N-iminoprop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-iminoprop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-iminoprop-2-enamide is [H]/N=N/C(=O)/C=C/c1ccco1.
What is the InChIKey of (E)-3-(furan-2-yl)-N-iminoprop-2-enamide?
The InChIKey is KGJBCLYCZMOFLU-DDJGDYJSSA-N. The full InChI is InChI=1S/C7H6N2O2/c8-9-7(10)4-3-6-2-1-5-11-6/h1-5,8H/b4-3+,9-8+.
What are the key properties of (E)-3-(furan-2-yl)-N-iminoprop-2-enamide?
(E)-3-(furan-2-yl)-N-iminoprop-2-enamide has a molecular weight of 150.14 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-N-iminoprop-2-enamide is sourced from PubChem (CID 126729442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).