N-cyclopropylbenzenecarboximidoyl chloride

C10H10ClN — CID 7130957

IUPACN-cyclopropylbenzenecarboximidoyl chloride
SMILESCl/C(=N\C1CC1)c1ccccc1
InChIInChI=1S/C10H10ClN/c11-10(12-9-6-7-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2/b12-10-
InChIKeyMFCGNGCWMJFDKJ-BENRWUELSA-N
MW179.65 g/mol
LogP2.83
Rot. Bonds2

About N-cyclopropylbenzenecarboximidoyl chloride

N-cyclopropylbenzenecarboximidoyl chloride (PubChem CID 7130957) has the molecular formula C10H10ClN and a molecular weight of 179.65 g/mol. Its IUPAC name is N-cyclopropylbenzenecarboximidoyl chloride.

Molecular Properties

Compound NameN-cyclopropylbenzenecarboximidoyl chloride
PubChem CID7130957
Molecular FormulaC10H10ClN
Molecular Weight179.65 g/mol
Exact Mass179.05
IUPAC NameN-cyclopropylbenzenecarboximidoyl chloride
SMILESCl/C(=N\C1CC1)c1ccccc1
InChIInChI=1S/C10H10ClN/c11-10(12-9-6-7-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2/b12-10-
InChIKeyMFCGNGCWMJFDKJ-BENRWUELSA-N
XLogP2.83
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.65
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 N-cyclopropylbenzenecarboximidoyl chloride?
The IUPAC name of N-cyclopropylbenzenecarboximidoyl chloride (CID 7130957) is N-cyclopropylbenzenecarboximidoyl chloride.
What is the SMILES notation for N-cyclopropylbenzenecarboximidoyl chloride?
The canonical SMILES for N-cyclopropylbenzenecarboximidoyl chloride is Cl/C(=N\C1CC1)c1ccccc1.
What is the InChIKey of N-cyclopropylbenzenecarboximidoyl chloride?
The InChIKey is MFCGNGCWMJFDKJ-BENRWUELSA-N. The full InChI is InChI=1S/C10H10ClN/c11-10(12-9-6-7-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2/b12-10-.
What are the key properties of N-cyclopropylbenzenecarboximidoyl chloride?
N-cyclopropylbenzenecarboximidoyl chloride has a molecular weight of 179.65 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropylbenzenecarboximidoyl chloride is sourced from PubChem (CID 7130957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).