N-methyl-2-[(5-nitrofuran-2-yl)methylidene]butan-1-amine

C10H14N2O3 — CID 79329289

IUPACN-methyl-2-[(5-nitrofuran-2-yl)methylidene]butan-1-amine
SMILESCCC(=Cc1ccc([N+](=O)[O-])o1)CNC
InChIInChI=1S/C10H14N2O3/c1-3-8(7-11-2)6-9-4-5-10(15-9)12(13)14/h4-6,11H,3,7H2,1-2H3
InChIKeyLBEZAWNGKRMETG-UHFFFAOYSA-N
MW210.23 g/mol
LogP2.20
Rot. Bonds5

About N-methyl-2-[(5-nitrofuran-2-yl)methylidene]butan-1-amine

N-methyl-2-[(5-nitrofuran-2-yl)methylidene]butan-1-amine (PubChem CID 79329289) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is N-methyl-2-[(5-nitrofuran-2-yl)methylidene]butan-1-amine.

Molecular Properties

Compound NameN-methyl-2-[(5-nitrofuran-2-yl)methylidene]butan-1-amine
PubChem CID79329289
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC NameN-methyl-2-[(5-nitrofuran-2-yl)methylidene]butan-1-amine
SMILESCCC(=Cc1ccc([N+](=O)[O-])o1)CNC
InChIInChI=1S/C10H14N2O3/c1-3-8(7-11-2)6-9-4-5-10(15-9)12(13)14/h4-6,11H,3,7H2,1-2H3
InChIKeyLBEZAWNGKRMETG-UHFFFAOYSA-N
XLogP2.20
TPSA68.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-nitrofuran-2-yl)methylidene]butan-1-amine
CID 79323180
(E)-N-ethyl-3-methyl-4-(5-nitrofuran-2-yl)but-3-en-2-amine
CID 103093496
N-[2-methyl-3-(5-nitrofuran-2-yl)prop-2-enyl]cyclopropanamine
CID 79340423
(Z)-2-methyl-3-(5-nitrofuran-2-yl)prop-2-enoate
CID 6934520
(Z)-2-(dipropylamino)-3-(5-nitrofuran-2-yl)prop-2-enehydrazide
CID 6434137
4-[(E)-1-(5-nitrofuran-2-yl)prop-1-en-2-yl]pyridine
CID 121015224
N-methyl-1-(5-nitrofuran-2-yl)methanamine
CID 43754874
methyl (E)-3-(5-nitrofuran-2-yl)-2-phenylprop-2-enoate
CID 20519566
(E)-4-(5-nitrofuran-2-yl)-N-propylbut-3-en-2-amine
CID 103092876
azane;5-nitrofuran-2-carbaldehyde
CID 174516774
2-(2-carbamoylhydrazinyl)-3-(5-nitrofuran-2-yl)prop-2-enoic acid
CID 20981860
methyl 5-(2-nitrobut-1-enyl)furan-2-carboxylate
CID 76913052

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(5-nitrofuran-2-yl)methylidene]butan-1-amine?
The IUPAC name of N-methyl-2-[(5-nitrofuran-2-yl)methylidene]butan-1-amine (CID 79329289) is N-methyl-2-[(5-nitrofuran-2-yl)methylidene]butan-1-amine.
What is the SMILES notation for N-methyl-2-[(5-nitrofuran-2-yl)methylidene]butan-1-amine?
The canonical SMILES for N-methyl-2-[(5-nitrofuran-2-yl)methylidene]butan-1-amine is CCC(=Cc1ccc([N+](=O)[O-])o1)CNC.
What is the InChIKey of N-methyl-2-[(5-nitrofuran-2-yl)methylidene]butan-1-amine?
The InChIKey is LBEZAWNGKRMETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-3-8(7-11-2)6-9-4-5-10(15-9)12(13)14/h4-6,11H,3,7H2,1-2H3.
What are the key properties of N-methyl-2-[(5-nitrofuran-2-yl)methylidene]butan-1-amine?
N-methyl-2-[(5-nitrofuran-2-yl)methylidene]butan-1-amine has a molecular weight of 210.23 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(5-nitrofuran-2-yl)methylidene]butan-1-amine is sourced from PubChem (CID 79329289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).