N-[(5-methylfuran-2-yl)methylideneamino]cyclopropanecarboxamide

C10H12N2O2 — CID 871912

IUPACN-[(5-methylfuran-2-yl)methylideneamino]cyclopropanecarboxamide
SMILESCc1ccc(C=NNC(=O)C2CC2)o1
InChIInChI=1S/C10H12N2O2/c1-7-2-5-9(14-7)6-11-12-10(13)8-3-4-8/h2,5-6,8H,3-4H2,1H3,(H,12,13)
InChIKeyRLJYTGVENKFOCI-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.45
Rot. Bonds3

About N-[(5-methylfuran-2-yl)methylideneamino]cyclopropanecarboxamide

N-[(5-methylfuran-2-yl)methylideneamino]cyclopropanecarboxamide (PubChem CID 871912) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methylideneamino]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methylideneamino]cyclopropanecarboxamide
PubChem CID871912
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC NameN-[(5-methylfuran-2-yl)methylideneamino]cyclopropanecarboxamide
SMILESCc1ccc(C=NNC(=O)C2CC2)o1
InChIInChI=1S/C10H12N2O2/c1-7-2-5-9(14-7)6-11-12-10(13)8-3-4-8/h2,5-6,8H,3-4H2,1H3,(H,12,13)
InChIKeyRLJYTGVENKFOCI-UHFFFAOYSA-N
XLogP1.45
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.45
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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Related Compounds

4-(cyclopropanecarbonylamino)-N-[(5-methylfuran-2-yl)methylideneamino]benzamide
CID 920980
1,3-bis[(E)-(5-methylfuran-2-yl)methylideneamino]urea
CID 177430726
4-(cyclohexanecarbonylamino)-N-[(5-methylfuran-2-yl)methylideneamino]benzamide
CID 4510231
1-cyclohexyl-3-[(5-methylfuran-2-yl)methylideneamino]urea
CID 2495861
(1S,6S,7R)-1-methyl-N-[(5-methylfuran-2-yl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
CID 124865604
(3S)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 7407899
N-[(5-methylfuran-2-yl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2837239
2-(cyclohexylamino)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide
CID 126386756
N-[(Z)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]cyclopropanecarboxamide
CID 9234874
4-hydroxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 5371180
2-iodo-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 6898812
N-[(E)-(5-nitrofuran-2-yl)methylideneamino]cyclohexanecarboxamide
CID 6875630

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methylideneamino]cyclopropanecarboxamide?
The IUPAC name of N-[(5-methylfuran-2-yl)methylideneamino]cyclopropanecarboxamide (CID 871912) is N-[(5-methylfuran-2-yl)methylideneamino]cyclopropanecarboxamide.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methylideneamino]cyclopropanecarboxamide?
The canonical SMILES for N-[(5-methylfuran-2-yl)methylideneamino]cyclopropanecarboxamide is Cc1ccc(C=NNC(=O)C2CC2)o1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methylideneamino]cyclopropanecarboxamide?
The InChIKey is RLJYTGVENKFOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-7-2-5-9(14-7)6-11-12-10(13)8-3-4-8/h2,5-6,8H,3-4H2,1H3,(H,12,13).
What are the key properties of N-[(5-methylfuran-2-yl)methylideneamino]cyclopropanecarboxamide?
N-[(5-methylfuran-2-yl)methylideneamino]cyclopropanecarboxamide has a molecular weight of 192.22 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)methylideneamino]cyclopropanecarboxamide is sourced from PubChem (CID 871912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).