N-[3-(furan-2-yl)prop-2-enylideneamino]-2-(1-methylpyrrol-2-yl)acetamide

C14H15N3O2 — CID 6808432

IUPACN-[3-(furan-2-yl)prop-2-enylideneamino]-2-(1-methylpyrrol-2-yl)acetamide
SMILESCn1cccc1CC(=O)NN=CC=Cc1ccco1
InChIInChI=1S/C14H15N3O2/c1-17-9-3-5-12(17)11-14(18)16-15-8-2-6-13-7-4-10-19-13/h2-10H,11H2,1H3,(H,16,18)
InChIKeyJIZSWFPNBFZAJT-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.98
Rot. Bonds5

About N-[3-(furan-2-yl)prop-2-enylideneamino]-2-(1-methylpyrrol-2-yl)acetamide

N-[3-(furan-2-yl)prop-2-enylideneamino]-2-(1-methylpyrrol-2-yl)acetamide (PubChem CID 6808432) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is N-[3-(furan-2-yl)prop-2-enylideneamino]-2-(1-methylpyrrol-2-yl)acetamide.

Molecular Properties

Compound NameN-[3-(furan-2-yl)prop-2-enylideneamino]-2-(1-methylpyrrol-2-yl)acetamide
PubChem CID6808432
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC NameN-[3-(furan-2-yl)prop-2-enylideneamino]-2-(1-methylpyrrol-2-yl)acetamide
SMILESCn1cccc1CC(=O)NN=CC=Cc1ccco1
InChIInChI=1S/C14H15N3O2/c1-17-9-3-5-12(17)11-14(18)16-15-8-2-6-13-7-4-10-19-13/h2-10H,11H2,1H3,(H,16,18)
InChIKeyJIZSWFPNBFZAJT-UHFFFAOYSA-N
XLogP1.98
TPSA59.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-furan-2-ylmethylideneamino]-2-(1-methylpyrrol-2-yl)acetamide
CID 6862517
2-(3,4-dimethoxyphenyl)-N-[3-(furan-2-yl)prop-2-enylideneamino]acetamide
CID 4027245
N-[[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 129432020
2-(4-benzylpiperazin-1-yl)-N-[3-(furan-2-yl)prop-2-enylideneamino]acetamide
CID 5061171
2-(4-benzylpiperazin-1-yl)-N-[(Z)-[(Z)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide
CID 6865026
2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(E)-[(Z)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide
CID 6886482
N-[3-(furan-2-yl)prop-2-enylideneamino]-2-(3-methylanilino)acetamide
CID 6834782
2-(1-adamantyl)-N-[[(Z)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide
CID 129439178
N-[[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-hydroxy-2-phenylacetamide
CID 11958888
N-[[(Z)-3-(furan-2-yl)prop-2-enylidene]amino]-2-naphthalen-2-yloxyacetamide
CID 129441481
N-[3-(furan-2-yl)prop-2-enylideneamino]pyridine-4-carboxamide
CID 2853290
N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]pyridine-4-carboxamide
CID 6893827

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-yl)prop-2-enylideneamino]-2-(1-methylpyrrol-2-yl)acetamide?
The IUPAC name of N-[3-(furan-2-yl)prop-2-enylideneamino]-2-(1-methylpyrrol-2-yl)acetamide (CID 6808432) is N-[3-(furan-2-yl)prop-2-enylideneamino]-2-(1-methylpyrrol-2-yl)acetamide.
What is the SMILES notation for N-[3-(furan-2-yl)prop-2-enylideneamino]-2-(1-methylpyrrol-2-yl)acetamide?
The canonical SMILES for N-[3-(furan-2-yl)prop-2-enylideneamino]-2-(1-methylpyrrol-2-yl)acetamide is Cn1cccc1CC(=O)NN=CC=Cc1ccco1.
What is the InChIKey of N-[3-(furan-2-yl)prop-2-enylideneamino]-2-(1-methylpyrrol-2-yl)acetamide?
The InChIKey is JIZSWFPNBFZAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-17-9-3-5-12(17)11-14(18)16-15-8-2-6-13-7-4-10-19-13/h2-10H,11H2,1H3,(H,16,18).
What are the key properties of N-[3-(furan-2-yl)prop-2-enylideneamino]-2-(1-methylpyrrol-2-yl)acetamide?
N-[3-(furan-2-yl)prop-2-enylideneamino]-2-(1-methylpyrrol-2-yl)acetamide has a molecular weight of 257.29 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-yl)prop-2-enylideneamino]-2-(1-methylpyrrol-2-yl)acetamide is sourced from PubChem (CID 6808432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).