N'-[(Z)-[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]-N-propan-2-yloxamide

C15H23N3O2 — CID 9351960

IUPACN'-[(Z)-[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]-N-propan-2-yloxamide
SMILESC=C(C)[C@@H]1CC=C(C)/C(=N\NC(=O)C(=O)NC(C)C)C1
InChIInChI=1S/C15H23N3O2/c1-9(2)12-7-6-11(5)13(8-12)17-18-15(20)14(19)16-10(3)4/h6,10,12H,1,7-8H2,2-5H3,(H,16,19)(H,18,20)/b17-13-/t12-/m1/s1
InChIKeyMRRZTQLYTBNAEQ-JJAGWCGDSA-N
MW277.37 g/mol
LogP1.92
Rot. Bonds3

About N'-[(Z)-[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]-N-propan-2-yloxamide

N'-[(Z)-[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]-N-propan-2-yloxamide (PubChem CID 9351960) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N'-[(Z)-[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]-N-propan-2-yloxamide.

Molecular Properties

Compound NameN'-[(Z)-[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]-N-propan-2-yloxamide
PubChem CID9351960
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN'-[(Z)-[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]-N-propan-2-yloxamide
SMILESC=C(C)[C@@H]1CC=C(C)/C(=N\NC(=O)C(=O)NC(C)C)C1
InChIInChI=1S/C15H23N3O2/c1-9(2)12-7-6-11(5)13(8-12)17-18-15(20)14(19)16-10(3)4/h6,10,12H,1,7-8H2,2-5H3,(H,16,19)(H,18,20)/b17-13-/t12-/m1/s1
InChIKeyMRRZTQLYTBNAEQ-JJAGWCGDSA-N
XLogP1.92
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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'-[(Z)-[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]-N-propan-2-yloxamide?
The IUPAC name of N'-[(Z)-[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]-N-propan-2-yloxamide (CID 9351960) is N'-[(Z)-[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]-N-propan-2-yloxamide.
What is the SMILES notation for N'-[(Z)-[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]-N-propan-2-yloxamide?
The canonical SMILES for N'-[(Z)-[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]-N-propan-2-yloxamide is C=C(C)[C@@H]1CC=C(C)/C(=N\NC(=O)C(=O)NC(C)C)C1.
What is the InChIKey of N'-[(Z)-[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]-N-propan-2-yloxamide?
The InChIKey is MRRZTQLYTBNAEQ-JJAGWCGDSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-9(2)12-7-6-11(5)13(8-12)17-18-15(20)14(19)16-10(3)4/h6,10,12H,1,7-8H2,2-5H3,(H,16,19)(H,18,20)/b17-13-/t12-/m1/s1.
What are the key properties of N'-[(Z)-[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]-N-propan-2-yloxamide?
N'-[(Z)-[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]-N-propan-2-yloxamide has a molecular weight of 277.37 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]-N-propan-2-yloxamide is sourced from PubChem (CID 9351960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).