(2Z)-2-[2-amino-5-(3-methylbutyl)pyrrol-3-ylidene]ethanimidoyl chloride

C11H16ClN3 — CID 170620236

IUPAC(2Z)-2-[2-amino-5-(3-methylbutyl)pyrrol-3-ylidene]ethanimidoyl chloride
SMILES[H]/N=C(Cl)/C=C1/C=C(CCC(C)C)N=C1N
InChIInChI=1S/C11H16ClN3/c1-7(2)3-4-9-5-8(6-10(12)13)11(14)15-9/h5-7,13H,3-4H2,1-2H3,(H2,14,15)/b8-6-,13-10-
InChIKeyGNCZBVHVFTYNRG-RXTIBHSBSA-N
MW225.72 g/mol
LogP2.82
Rot. Bonds4

About (2Z)-2-[2-amino-5-(3-methylbutyl)pyrrol-3-ylidene]ethanimidoyl chloride

(2Z)-2-[2-amino-5-(3-methylbutyl)pyrrol-3-ylidene]ethanimidoyl chloride (PubChem CID 170620236) has the molecular formula C11H16ClN3 and a molecular weight of 225.72 g/mol. Its IUPAC name is (2Z)-2-[2-amino-5-(3-methylbutyl)pyrrol-3-ylidene]ethanimidoyl chloride.

Molecular Properties

Compound Name(2Z)-2-[2-amino-5-(3-methylbutyl)pyrrol-3-ylidene]ethanimidoyl chloride
PubChem CID170620236
Molecular FormulaC11H16ClN3
Molecular Weight225.72 g/mol
Exact Mass225.10
IUPAC Name(2Z)-2-[2-amino-5-(3-methylbutyl)pyrrol-3-ylidene]ethanimidoyl chloride
SMILES[H]/N=C(Cl)/C=C1/C=C(CCC(C)C)N=C1N
InChIInChI=1S/C11H16ClN3/c1-7(2)3-4-9-5-8(6-10(12)13)11(14)15-9/h5-7,13H,3-4H2,1-2H3,(H2,14,15)/b8-6-,13-10-
InChIKeyGNCZBVHVFTYNRG-RXTIBHSBSA-N
XLogP2.82
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[2-amino-5-(3-methylbutyl)pyrrol-3-ylidene]ethanimidoyl chloride?
The IUPAC name of (2Z)-2-[2-amino-5-(3-methylbutyl)pyrrol-3-ylidene]ethanimidoyl chloride (CID 170620236) is (2Z)-2-[2-amino-5-(3-methylbutyl)pyrrol-3-ylidene]ethanimidoyl chloride.
What is the SMILES notation for (2Z)-2-[2-amino-5-(3-methylbutyl)pyrrol-3-ylidene]ethanimidoyl chloride?
The canonical SMILES for (2Z)-2-[2-amino-5-(3-methylbutyl)pyrrol-3-ylidene]ethanimidoyl chloride is [H]/N=C(Cl)/C=C1/C=C(CCC(C)C)N=C1N.
What is the InChIKey of (2Z)-2-[2-amino-5-(3-methylbutyl)pyrrol-3-ylidene]ethanimidoyl chloride?
The InChIKey is GNCZBVHVFTYNRG-RXTIBHSBSA-N. The full InChI is InChI=1S/C11H16ClN3/c1-7(2)3-4-9-5-8(6-10(12)13)11(14)15-9/h5-7,13H,3-4H2,1-2H3,(H2,14,15)/b8-6-,13-10-.
What are the key properties of (2Z)-2-[2-amino-5-(3-methylbutyl)pyrrol-3-ylidene]ethanimidoyl chloride?
(2Z)-2-[2-amino-5-(3-methylbutyl)pyrrol-3-ylidene]ethanimidoyl chloride has a molecular weight of 225.72 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[2-amino-5-(3-methylbutyl)pyrrol-3-ylidene]ethanimidoyl chloride is sourced from PubChem (CID 170620236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).