(Z)-N-(furan-2-ylmethyl)-N,2-dimethylpent-2-enamide

C12H17NO2 — CID 51077874

IUPAC(Z)-N-(furan-2-ylmethyl)-N,2-dimethylpent-2-enamide
SMILESCC/C=C(/C)C(=O)N(C)Cc1ccco1
InChIInChI=1S/C12H17NO2/c1-4-6-10(2)12(14)13(3)9-11-7-5-8-15-11/h5-8H,4,9H2,1-3H3/b10-6-
InChIKeyUNSJIHGXKYZMAL-POHAHGRESA-N
MW207.27 g/mol
LogP2.59
Rot. Bonds4

About (Z)-N-(furan-2-ylmethyl)-N,2-dimethylpent-2-enamide

(Z)-N-(furan-2-ylmethyl)-N,2-dimethylpent-2-enamide (PubChem CID 51077874) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is (Z)-N-(furan-2-ylmethyl)-N,2-dimethylpent-2-enamide.

Molecular Properties

Compound Name(Z)-N-(furan-2-ylmethyl)-N,2-dimethylpent-2-enamide
PubChem CID51077874
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name(Z)-N-(furan-2-ylmethyl)-N,2-dimethylpent-2-enamide
SMILESCC/C=C(/C)C(=O)N(C)Cc1ccco1
InChIInChI=1S/C12H17NO2/c1-4-6-10(2)12(14)13(3)9-11-7-5-8-15-11/h5-8H,4,9H2,1-3H3/b10-6-
InChIKeyUNSJIHGXKYZMAL-POHAHGRESA-N
XLogP2.59
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-4-[furan-2-ylmethyl(methyl)amino]-4-oxobut-2-enoic acid
CID 91989672
(E)-4-[furan-2-ylmethyl(methyl)amino]-4-oxobut-2-enoic acid
CID 39242195
methyl N-(furan-2-ylmethyl)-N-methylcarbamate
CID 2755161
N-(furan-2-ylmethyl)-N-methyl-2-(methylamino)acetamide
CID 43396056
N-(furan-2-ylmethyl)-N,3-dimethylbutanamide
CID 58845598
(2R)-2-chloro-N-(furan-2-ylmethyl)-N-methylpropanamide
CID 42554709
5-bromo-N-(furan-2-ylmethyl)-N-methylpentanamide
CID 107908125
(E)-N-[(2R)-1-(furan-2-yl)propan-2-yl]-2-methylpent-2-enamide
CID 98205277
5-bromo-N-(furan-2-ylmethyl)-N-methylpyridine-3-carboxamide
CID 60629759
1-[furan-2-ylmethyl(methyl)amino]butan-2-one
CID 62038679
1-ethyl-1-(furan-2-ylmethyl)-3,3-dimethylurea
CID 115581572
2-amino-N-(furan-2-ylmethyl)-N-methylpentanamide;hydrochloride
CID 71757104

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(furan-2-ylmethyl)-N,2-dimethylpent-2-enamide?
The IUPAC name of (Z)-N-(furan-2-ylmethyl)-N,2-dimethylpent-2-enamide (CID 51077874) is (Z)-N-(furan-2-ylmethyl)-N,2-dimethylpent-2-enamide.
What is the SMILES notation for (Z)-N-(furan-2-ylmethyl)-N,2-dimethylpent-2-enamide?
The canonical SMILES for (Z)-N-(furan-2-ylmethyl)-N,2-dimethylpent-2-enamide is CC/C=C(/C)C(=O)N(C)Cc1ccco1.
What is the InChIKey of (Z)-N-(furan-2-ylmethyl)-N,2-dimethylpent-2-enamide?
The InChIKey is UNSJIHGXKYZMAL-POHAHGRESA-N. The full InChI is InChI=1S/C12H17NO2/c1-4-6-10(2)12(14)13(3)9-11-7-5-8-15-11/h5-8H,4,9H2,1-3H3/b10-6-.
What are the key properties of (Z)-N-(furan-2-ylmethyl)-N,2-dimethylpent-2-enamide?
(Z)-N-(furan-2-ylmethyl)-N,2-dimethylpent-2-enamide has a molecular weight of 207.27 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(furan-2-ylmethyl)-N,2-dimethylpent-2-enamide is sourced from PubChem (CID 51077874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).