N-[(2-ethylcyclopentylidene)amino]-2-methylfuran-3-carboxamide

C13H18N2O2 — CID 3716947

IUPACN-[(2-ethylcyclopentylidene)amino]-2-methylfuran-3-carboxamide
SMILESCCC1CCCC1=NNC(=O)c1ccoc1C
InChIInChI=1S/C13H18N2O2/c1-3-10-5-4-6-12(10)14-15-13(16)11-7-8-17-9(11)2/h7-8,10H,3-6H2,1-2H3,(H,15,16)
InChIKeySGDZHPNINDUOBF-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.88
Rot. Bonds3

About N-[(2-ethylcyclopentylidene)amino]-2-methylfuran-3-carboxamide

N-[(2-ethylcyclopentylidene)amino]-2-methylfuran-3-carboxamide (PubChem CID 3716947) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-[(2-ethylcyclopentylidene)amino]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(2-ethylcyclopentylidene)amino]-2-methylfuran-3-carboxamide
PubChem CID3716947
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-[(2-ethylcyclopentylidene)amino]-2-methylfuran-3-carboxamide
SMILESCCC1CCCC1=NNC(=O)c1ccoc1C
InChIInChI=1S/C13H18N2O2/c1-3-10-5-4-6-12(10)14-15-13(16)11-7-8-17-9(11)2/h7-8,10H,3-6H2,1-2H3,(H,15,16)
InChIKeySGDZHPNINDUOBF-UHFFFAOYSA-N
XLogP2.88
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylcyclopentylidene)amino]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[(2-ethylcyclopentylidene)amino]-2-methylfuran-3-carboxamide (CID 3716947) is N-[(2-ethylcyclopentylidene)amino]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[(2-ethylcyclopentylidene)amino]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[(2-ethylcyclopentylidene)amino]-2-methylfuran-3-carboxamide is CCC1CCCC1=NNC(=O)c1ccoc1C.
What is the InChIKey of N-[(2-ethylcyclopentylidene)amino]-2-methylfuran-3-carboxamide?
The InChIKey is SGDZHPNINDUOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-3-10-5-4-6-12(10)14-15-13(16)11-7-8-17-9(11)2/h7-8,10H,3-6H2,1-2H3,(H,15,16).
What are the key properties of N-[(2-ethylcyclopentylidene)amino]-2-methylfuran-3-carboxamide?
N-[(2-ethylcyclopentylidene)amino]-2-methylfuran-3-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylcyclopentylidene)amino]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 3716947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).