1-amino-N-pyrrol-1-ylcyclopropane-1-carboxamide;hydrochloride

C8H12ClN3O — CID 19973194

IUPAC1-amino-N-pyrrol-1-ylcyclopropane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)Nn2cccc2)CC1
InChIInChI=1S/C8H11N3O.ClH/c9-8(3-4-8)7(12)10-11-5-1-2-6-11;/h1-2,5-6H,3-4,9H2,(H,10,12);1H
InChIKeyLEOYBYCLIKJPAX-UHFFFAOYSA-N
MW201.66 g/mol
LogP0.47
Rot. Bonds2

About 1-amino-N-pyrrol-1-ylcyclopropane-1-carboxamide;hydrochloride

1-amino-N-pyrrol-1-ylcyclopropane-1-carboxamide;hydrochloride (PubChem CID 19973194) has the molecular formula C8H12ClN3O and a molecular weight of 201.66 g/mol. Its IUPAC name is 1-amino-N-pyrrol-1-ylcyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-pyrrol-1-ylcyclopropane-1-carboxamide;hydrochloride
PubChem CID19973194
Molecular FormulaC8H12ClN3O
Molecular Weight201.66 g/mol
Exact Mass201.07
IUPAC Name1-amino-N-pyrrol-1-ylcyclopropane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)Nn2cccc2)CC1
InChIInChI=1S/C8H11N3O.ClH/c9-8(3-4-8)7(12)10-11-5-1-2-6-11;/h1-2,5-6H,3-4,9H2,(H,10,12);1H
InChIKeyLEOYBYCLIKJPAX-UHFFFAOYSA-N
XLogP0.47
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.66
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-pyrrol-1-ylcyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-pyrrol-1-ylcyclopropane-1-carboxamide;hydrochloride (CID 19973194) is 1-amino-N-pyrrol-1-ylcyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-pyrrol-1-ylcyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-pyrrol-1-ylcyclopropane-1-carboxamide;hydrochloride is Cl.NC1(C(=O)Nn2cccc2)CC1.
What is the InChIKey of 1-amino-N-pyrrol-1-ylcyclopropane-1-carboxamide;hydrochloride?
The InChIKey is LEOYBYCLIKJPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O.ClH/c9-8(3-4-8)7(12)10-11-5-1-2-6-11;/h1-2,5-6H,3-4,9H2,(H,10,12);1H.
What are the key properties of 1-amino-N-pyrrol-1-ylcyclopropane-1-carboxamide;hydrochloride?
1-amino-N-pyrrol-1-ylcyclopropane-1-carboxamide;hydrochloride has a molecular weight of 201.66 g/mol, XLogP of 0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-pyrrol-1-ylcyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 19973194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).