1-(chloroamino)cyclopropane-1-carboxamide

C4H7ClN2O — CID 155279622

IUPAC1-(chloroamino)cyclopropane-1-carboxamide
SMILESNC(=O)C1(NCl)CC1
InChIInChI=1S/C4H7ClN2O/c5-7-4(1-2-4)3(6)8/h7H,1-2H2,(H2,6,8)
InChIKeyMSEIJGLQFVKSEP-UHFFFAOYSA-N
MW134.57 g/mol
LogP-0.25
Rot. Bonds2

About 1-(chloroamino)cyclopropane-1-carboxamide

1-(chloroamino)cyclopropane-1-carboxamide (PubChem CID 155279622) has the molecular formula C4H7ClN2O and a molecular weight of 134.57 g/mol. Its IUPAC name is 1-(chloroamino)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(chloroamino)cyclopropane-1-carboxamide
PubChem CID155279622
Molecular FormulaC4H7ClN2O
Molecular Weight134.57 g/mol
Exact Mass134.02
IUPAC Name1-(chloroamino)cyclopropane-1-carboxamide
SMILESNC(=O)C1(NCl)CC1
InChIInChI=1S/C4H7ClN2O/c5-7-4(1-2-4)3(6)8/h7H,1-2H2,(H2,6,8)
InChIKeyMSEIJGLQFVKSEP-UHFFFAOYSA-N
XLogP-0.25
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.57
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(chloroamino)cyclopropane-1-carboxamide?
The IUPAC name of 1-(chloroamino)cyclopropane-1-carboxamide (CID 155279622) is 1-(chloroamino)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(chloroamino)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(chloroamino)cyclopropane-1-carboxamide is NC(=O)C1(NCl)CC1.
What is the InChIKey of 1-(chloroamino)cyclopropane-1-carboxamide?
The InChIKey is MSEIJGLQFVKSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7ClN2O/c5-7-4(1-2-4)3(6)8/h7H,1-2H2,(H2,6,8).
What are the key properties of 1-(chloroamino)cyclopropane-1-carboxamide?
1-(chloroamino)cyclopropane-1-carboxamide has a molecular weight of 134.57 g/mol, XLogP of -0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloroamino)cyclopropane-1-carboxamide is sourced from PubChem (CID 155279622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).