benzenecarboximidamide;1H-pyrrole

C11H13N3 — CID 158593667

IUPACbenzenecarboximidamide;1H-pyrrole
SMILES[H]/N=C(\N)c1ccccc1.c1cc[nH]c1
InChIInChI=1S/C7H8N2.C4H5N/c8-7(9)6-4-2-1-3-5-6;1-2-4-5-3-1/h1-5H,(H3,8,9);1-5H
InChIKeyHUTFEHKYRRODOK-UHFFFAOYSA-N
MW187.25 g/mol
LogP1.99
Rot. Bonds1

About benzenecarboximidamide;1H-pyrrole

benzenecarboximidamide;1H-pyrrole (PubChem CID 158593667) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is benzenecarboximidamide;1H-pyrrole.

Molecular Properties

Compound Namebenzenecarboximidamide;1H-pyrrole
PubChem CID158593667
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Namebenzenecarboximidamide;1H-pyrrole
SMILES[H]/N=C(\N)c1ccccc1.c1cc[nH]c1
InChIInChI=1S/C7H8N2.C4H5N/c8-7(9)6-4-2-1-3-5-6;1-2-4-5-3-1/h1-5H,(H3,8,9);1-5H
InChIKeyHUTFEHKYRRODOK-UHFFFAOYSA-N
XLogP1.99
TPSA65.66 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

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benzenecarboximidamide;propanoic acid
CID 159833627
trisodium;benzenecarboximidamide;phosphate
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benzenecarboximidamide;(4-phenylphenyl)methanamine
CID 145327292
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CID 91221015
3-(5-phenyl-1H-pyrrol-2-yl)benzenecarboximidamide
CID 89250354
CID 175472518
CID 175472518
4-fluorobenzenecarboximidamide;hydroiodide
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Frequently Asked Questions

What is the IUPAC name of benzenecarboximidamide;1H-pyrrole?
The IUPAC name of benzenecarboximidamide;1H-pyrrole (CID 158593667) is benzenecarboximidamide;1H-pyrrole.
What is the SMILES notation for benzenecarboximidamide;1H-pyrrole?
The canonical SMILES for benzenecarboximidamide;1H-pyrrole is [H]/N=C(\N)c1ccccc1.c1cc[nH]c1.
What is the InChIKey of benzenecarboximidamide;1H-pyrrole?
The InChIKey is HUTFEHKYRRODOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2.C4H5N/c8-7(9)6-4-2-1-3-5-6;1-2-4-5-3-1/h1-5H,(H3,8,9);1-5H.
What are the key properties of benzenecarboximidamide;1H-pyrrole?
benzenecarboximidamide;1H-pyrrole has a molecular weight of 187.25 g/mol, XLogP of 1.99, 1 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzenecarboximidamide;1H-pyrrole is sourced from PubChem (CID 158593667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).