N'-hydroxy-1-[(3E)-2-methylpenta-1,3-dien-3-yl]cyclopropane-1-carboximidamide

C10H16N2O — CID 177007210

IUPACN'-hydroxy-1-[(3E)-2-methylpenta-1,3-dien-3-yl]cyclopropane-1-carboximidamide
SMILESC=C(C)/C(=C\C)C1(/C(N)=N/O)CC1
InChIInChI=1S/C10H16N2O/c1-4-8(7(2)3)10(5-6-10)9(11)12-13/h4,13H,2,5-6H2,1,3H3,(H2,11,12)/b8-4+
InChIKeyHJHDRUAFEUXHAR-XBXARRHUSA-N
MW180.25 g/mol
LogP2.04
Rot. Bonds3

About N'-hydroxy-1-[(3E)-2-methylpenta-1,3-dien-3-yl]cyclopropane-1-carboximidamide

N'-hydroxy-1-[(3E)-2-methylpenta-1,3-dien-3-yl]cyclopropane-1-carboximidamide (PubChem CID 177007210) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is N'-hydroxy-1-[(3E)-2-methylpenta-1,3-dien-3-yl]cyclopropane-1-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-[(3E)-2-methylpenta-1,3-dien-3-yl]cyclopropane-1-carboximidamide
PubChem CID177007210
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC NameN'-hydroxy-1-[(3E)-2-methylpenta-1,3-dien-3-yl]cyclopropane-1-carboximidamide
SMILESC=C(C)/C(=C\C)C1(/C(N)=N/O)CC1
InChIInChI=1S/C10H16N2O/c1-4-8(7(2)3)10(5-6-10)9(11)12-13/h4,13H,2,5-6H2,1,3H3,(H2,11,12)/b8-4+
InChIKeyHJHDRUAFEUXHAR-XBXARRHUSA-N
XLogP2.04
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-[(3E)-2-methylpenta-1,3-dien-3-yl]cyclopropane-1-carboximidamide?
The IUPAC name of N'-hydroxy-1-[(3E)-2-methylpenta-1,3-dien-3-yl]cyclopropane-1-carboximidamide (CID 177007210) is N'-hydroxy-1-[(3E)-2-methylpenta-1,3-dien-3-yl]cyclopropane-1-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-[(3E)-2-methylpenta-1,3-dien-3-yl]cyclopropane-1-carboximidamide?
The canonical SMILES for N'-hydroxy-1-[(3E)-2-methylpenta-1,3-dien-3-yl]cyclopropane-1-carboximidamide is C=C(C)/C(=C\C)C1(/C(N)=N/O)CC1.
What is the InChIKey of N'-hydroxy-1-[(3E)-2-methylpenta-1,3-dien-3-yl]cyclopropane-1-carboximidamide?
The InChIKey is HJHDRUAFEUXHAR-XBXARRHUSA-N. The full InChI is InChI=1S/C10H16N2O/c1-4-8(7(2)3)10(5-6-10)9(11)12-13/h4,13H,2,5-6H2,1,3H3,(H2,11,12)/b8-4+.
What are the key properties of N'-hydroxy-1-[(3E)-2-methylpenta-1,3-dien-3-yl]cyclopropane-1-carboximidamide?
N'-hydroxy-1-[(3E)-2-methylpenta-1,3-dien-3-yl]cyclopropane-1-carboximidamide has a molecular weight of 180.25 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-[(3E)-2-methylpenta-1,3-dien-3-yl]cyclopropane-1-carboximidamide is sourced from PubChem (CID 177007210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).