N-[(E)-[(3E)-4-cyclopropyl-3-methoxyiminobutan-2-ylidene]amino]propanamide

C11H19N3O2 — CID 135150509

IUPACN-[(E)-[(3E)-4-cyclopropyl-3-methoxyiminobutan-2-ylidene]amino]propanamide
SMILESCCC(=O)N/N=C(C)/C(CC1CC1)=N/OC
InChIInChI=1S/C11H19N3O2/c1-4-11(15)13-12-8(2)10(14-16-3)7-9-5-6-9/h9H,4-7H2,1-3H3,(H,13,15)/b12-8+,14-10+
InChIKeyNVHXDYGGRIEKAJ-HNXSEKISSA-N
MW225.29 g/mol
LogP1.69
Rot. Bonds6

About N-[(E)-[(3E)-4-cyclopropyl-3-methoxyiminobutan-2-ylidene]amino]propanamide

N-[(E)-[(3E)-4-cyclopropyl-3-methoxyiminobutan-2-ylidene]amino]propanamide (PubChem CID 135150509) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is N-[(E)-[(3E)-4-cyclopropyl-3-methoxyiminobutan-2-ylidene]amino]propanamide.

Molecular Properties

Compound NameN-[(E)-[(3E)-4-cyclopropyl-3-methoxyiminobutan-2-ylidene]amino]propanamide
PubChem CID135150509
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC NameN-[(E)-[(3E)-4-cyclopropyl-3-methoxyiminobutan-2-ylidene]amino]propanamide
SMILESCCC(=O)N/N=C(C)/C(CC1CC1)=N/OC
InChIInChI=1S/C11H19N3O2/c1-4-11(15)13-12-8(2)10(14-16-3)7-9-5-6-9/h9H,4-7H2,1-3H3,(H,13,15)/b12-8+,14-10+
InChIKeyNVHXDYGGRIEKAJ-HNXSEKISSA-N
XLogP1.69
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'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-[(E)-[(3E)-4-cyclopropyl-3-methoxyiminobutan-2-ylidene]amino]propanamide?
The IUPAC name of N-[(E)-[(3E)-4-cyclopropyl-3-methoxyiminobutan-2-ylidene]amino]propanamide (CID 135150509) is N-[(E)-[(3E)-4-cyclopropyl-3-methoxyiminobutan-2-ylidene]amino]propanamide.
What is the SMILES notation for N-[(E)-[(3E)-4-cyclopropyl-3-methoxyiminobutan-2-ylidene]amino]propanamide?
The canonical SMILES for N-[(E)-[(3E)-4-cyclopropyl-3-methoxyiminobutan-2-ylidene]amino]propanamide is CCC(=O)N/N=C(C)/C(CC1CC1)=N/OC.
What is the InChIKey of N-[(E)-[(3E)-4-cyclopropyl-3-methoxyiminobutan-2-ylidene]amino]propanamide?
The InChIKey is NVHXDYGGRIEKAJ-HNXSEKISSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-4-11(15)13-12-8(2)10(14-16-3)7-9-5-6-9/h9H,4-7H2,1-3H3,(H,13,15)/b12-8+,14-10+.
What are the key properties of N-[(E)-[(3E)-4-cyclopropyl-3-methoxyiminobutan-2-ylidene]amino]propanamide?
N-[(E)-[(3E)-4-cyclopropyl-3-methoxyiminobutan-2-ylidene]amino]propanamide has a molecular weight of 225.29 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(3E)-4-cyclopropyl-3-methoxyiminobutan-2-ylidene]amino]propanamide is sourced from PubChem (CID 135150509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).