N-(morpholin-4-ylmethylidene)carbamimidoyl chloride

C6H10ClN3O — CID 174061153

IUPACN-(morpholin-4-ylmethylidene)carbamimidoyl chloride
SMILES[H]/N=C(\Cl)N=CN1CCOCC1
InChIInChI=1S/C6H10ClN3O/c7-6(8)9-5-10-1-3-11-4-2-10/h5,8H,1-4H2/b8-6+,9-5?
InChIKeyBVNKNNFVWOZNQQ-FBNVDBQMSA-N
MW175.62 g/mol
LogP0.52
Rot. Bonds1

About N-(morpholin-4-ylmethylidene)carbamimidoyl chloride

N-(morpholin-4-ylmethylidene)carbamimidoyl chloride (PubChem CID 174061153) has the molecular formula C6H10ClN3O and a molecular weight of 175.62 g/mol. Its IUPAC name is N-(morpholin-4-ylmethylidene)carbamimidoyl chloride.

Molecular Properties

Compound NameN-(morpholin-4-ylmethylidene)carbamimidoyl chloride
PubChem CID174061153
Molecular FormulaC6H10ClN3O
Molecular Weight175.62 g/mol
Exact Mass175.05
IUPAC NameN-(morpholin-4-ylmethylidene)carbamimidoyl chloride
SMILES[H]/N=C(\Cl)N=CN1CCOCC1
InChIInChI=1S/C6H10ClN3O/c7-6(8)9-5-10-1-3-11-4-2-10/h5,8H,1-4H2/b8-6+,9-5?
InChIKeyBVNKNNFVWOZNQQ-FBNVDBQMSA-N
XLogP0.52
TPSA48.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.62
LogP ≤ 50.52
H-Bond Donors ≤ 51
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': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(morpholin-4-ylmethylidene)carbamimidoyl chloride?
The IUPAC name of N-(morpholin-4-ylmethylidene)carbamimidoyl chloride (CID 174061153) is N-(morpholin-4-ylmethylidene)carbamimidoyl chloride.
What is the SMILES notation for N-(morpholin-4-ylmethylidene)carbamimidoyl chloride?
The canonical SMILES for N-(morpholin-4-ylmethylidene)carbamimidoyl chloride is [H]/N=C(\Cl)N=CN1CCOCC1.
What is the InChIKey of N-(morpholin-4-ylmethylidene)carbamimidoyl chloride?
The InChIKey is BVNKNNFVWOZNQQ-FBNVDBQMSA-N. The full InChI is InChI=1S/C6H10ClN3O/c7-6(8)9-5-10-1-3-11-4-2-10/h5,8H,1-4H2/b8-6+,9-5?.
What are the key properties of N-(morpholin-4-ylmethylidene)carbamimidoyl chloride?
N-(morpholin-4-ylmethylidene)carbamimidoyl chloride has a molecular weight of 175.62 g/mol, XLogP of 0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(morpholin-4-ylmethylidene)carbamimidoyl chloride is sourced from PubChem (CID 174061153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).