N-[2-methyl-3-(5-nitrofuran-2-yl)prop-2-enyl]cyclopropanamine

C11H14N2O3 — CID 79340423

IUPACN-[2-methyl-3-(5-nitrofuran-2-yl)prop-2-enyl]cyclopropanamine
SMILESCC(=Cc1ccc([N+](=O)[O-])o1)CNC1CC1
InChIInChI=1S/C11H14N2O3/c1-8(7-12-9-2-3-9)6-10-4-5-11(16-10)13(14)15/h4-6,9,12H,2-3,7H2,1H3
InChIKeyQCXCVBNDSLBUCP-UHFFFAOYSA-N
MW222.24 g/mol
LogP2.34
Rot. Bonds5

About N-[2-methyl-3-(5-nitrofuran-2-yl)prop-2-enyl]cyclopropanamine

N-[2-methyl-3-(5-nitrofuran-2-yl)prop-2-enyl]cyclopropanamine (PubChem CID 79340423) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is N-[2-methyl-3-(5-nitrofuran-2-yl)prop-2-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-methyl-3-(5-nitrofuran-2-yl)prop-2-enyl]cyclopropanamine
PubChem CID79340423
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC NameN-[2-methyl-3-(5-nitrofuran-2-yl)prop-2-enyl]cyclopropanamine
SMILESCC(=Cc1ccc([N+](=O)[O-])o1)CNC1CC1
InChIInChI=1S/C11H14N2O3/c1-8(7-12-9-2-3-9)6-10-4-5-11(16-10)13(14)15/h4-6,9,12H,2-3,7H2,1H3
InChIKeyQCXCVBNDSLBUCP-UHFFFAOYSA-N
XLogP2.34
TPSA68.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 52.34
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

N-methyl-2-[(5-nitrofuran-2-yl)methylidene]butan-1-amine
CID 79329289
(Z)-2-methyl-3-(5-nitrofuran-2-yl)prop-2-enoate
CID 6934520
4-methyl-N-[(5-nitrofuran-2-yl)methyl]cyclohexan-1-amine
CID 43761490
(E)-N-ethyl-3-methyl-4-(5-nitrofuran-2-yl)but-3-en-2-amine
CID 103093496
4-[(E)-1-(5-nitrofuran-2-yl)prop-1-en-2-yl]pyridine
CID 121015224
2-[(5-nitrofuran-2-yl)methylidene]butan-1-amine
CID 79323180
2-[(E)-2-chloroethenyl]-5-nitrofuran
CID 127261425
(Z)-2-(dipropylamino)-3-(5-nitrofuran-2-yl)prop-2-enehydrazide
CID 6434137
methyl (E)-3-(5-nitrofuran-2-yl)-2-phenylprop-2-enoate
CID 20519566
N-(2-methyl-3-pyrimidin-4-ylprop-2-enyl)cyclopropanamine
CID 79340938
azane;5-nitrofuran-2-carbaldehyde
CID 174516774
2-(2-carbamoylhydrazinyl)-3-(5-nitrofuran-2-yl)prop-2-enoic acid
CID 20981860

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-(5-nitrofuran-2-yl)prop-2-enyl]cyclopropanamine?
The IUPAC name of N-[2-methyl-3-(5-nitrofuran-2-yl)prop-2-enyl]cyclopropanamine (CID 79340423) is N-[2-methyl-3-(5-nitrofuran-2-yl)prop-2-enyl]cyclopropanamine.
What is the SMILES notation for N-[2-methyl-3-(5-nitrofuran-2-yl)prop-2-enyl]cyclopropanamine?
The canonical SMILES for N-[2-methyl-3-(5-nitrofuran-2-yl)prop-2-enyl]cyclopropanamine is CC(=Cc1ccc([N+](=O)[O-])o1)CNC1CC1.
What is the InChIKey of N-[2-methyl-3-(5-nitrofuran-2-yl)prop-2-enyl]cyclopropanamine?
The InChIKey is QCXCVBNDSLBUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-8(7-12-9-2-3-9)6-10-4-5-11(16-10)13(14)15/h4-6,9,12H,2-3,7H2,1H3.
What are the key properties of N-[2-methyl-3-(5-nitrofuran-2-yl)prop-2-enyl]cyclopropanamine?
N-[2-methyl-3-(5-nitrofuran-2-yl)prop-2-enyl]cyclopropanamine has a molecular weight of 222.24 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-(5-nitrofuran-2-yl)prop-2-enyl]cyclopropanamine is sourced from PubChem (CID 79340423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).