1-benzyl-N'-hydroxycyclopropane-1-carboximidamide

C11H14N2O — CID 170993565

IUPAC1-benzyl-N'-hydroxycyclopropane-1-carboximidamide
SMILESNC(=NO)C1(Cc2ccccc2)CC1
InChIInChI=1S/C11H14N2O/c12-10(13-14)11(6-7-11)8-9-4-2-1-3-5-9/h1-5,14H,6-8H2,(H2,12,13)
InChIKeyMFNLWYUKQRHQAW-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.76
Rot. Bonds3

About 1-benzyl-N'-hydroxycyclopropane-1-carboximidamide

1-benzyl-N'-hydroxycyclopropane-1-carboximidamide (PubChem CID 170993565) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 1-benzyl-N'-hydroxycyclopropane-1-carboximidamide.

Molecular Properties

Compound Name1-benzyl-N'-hydroxycyclopropane-1-carboximidamide
PubChem CID170993565
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name1-benzyl-N'-hydroxycyclopropane-1-carboximidamide
SMILESNC(=NO)C1(Cc2ccccc2)CC1
InChIInChI=1S/C11H14N2O/c12-10(13-14)11(6-7-11)8-9-4-2-1-3-5-9/h1-5,14H,6-8H2,(H2,12,13)
InChIKeyMFNLWYUKQRHQAW-UHFFFAOYSA-N
XLogP1.76
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.76
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N'-hydroxycyclopropane-1-carboximidamide?
The IUPAC name of 1-benzyl-N'-hydroxycyclopropane-1-carboximidamide (CID 170993565) is 1-benzyl-N'-hydroxycyclopropane-1-carboximidamide.
What is the SMILES notation for 1-benzyl-N'-hydroxycyclopropane-1-carboximidamide?
The canonical SMILES for 1-benzyl-N'-hydroxycyclopropane-1-carboximidamide is NC(=NO)C1(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-N'-hydroxycyclopropane-1-carboximidamide?
The InChIKey is MFNLWYUKQRHQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c12-10(13-14)11(6-7-11)8-9-4-2-1-3-5-9/h1-5,14H,6-8H2,(H2,12,13).
What are the key properties of 1-benzyl-N'-hydroxycyclopropane-1-carboximidamide?
1-benzyl-N'-hydroxycyclopropane-1-carboximidamide has a molecular weight of 190.25 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N'-hydroxycyclopropane-1-carboximidamide is sourced from PubChem (CID 170993565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).