1-(2,3-dihydropyrrol-1-yl)propan-1-imine;hydrobromide

C7H13BrN2 — CID 173280217

IUPAC1-(2,3-dihydropyrrol-1-yl)propan-1-imine;hydrobromide
SMILESBr.[H]/N=C(\CC)N1C=CCC1
InChIInChI=1S/C7H12N2.BrH/c1-2-7(8)9-5-3-4-6-9;/h3,5,8H,2,4,6H2,1H3;1H/b8-7+;
InChIKeyPHPYXLRVPVYLIV-USRGLUTNSA-N
MW205.10 g/mol
LogP2.17
Rot. Bonds1

About 1-(2,3-dihydropyrrol-1-yl)propan-1-imine;hydrobromide

1-(2,3-dihydropyrrol-1-yl)propan-1-imine;hydrobromide (PubChem CID 173280217) has the molecular formula C7H13BrN2 and a molecular weight of 205.10 g/mol. Its IUPAC name is 1-(2,3-dihydropyrrol-1-yl)propan-1-imine;hydrobromide.

Molecular Properties

Compound Name1-(2,3-dihydropyrrol-1-yl)propan-1-imine;hydrobromide
PubChem CID173280217
Molecular FormulaC7H13BrN2
Molecular Weight205.10 g/mol
Exact Mass204.03
IUPAC Name1-(2,3-dihydropyrrol-1-yl)propan-1-imine;hydrobromide
SMILESBr.[H]/N=C(\CC)N1C=CCC1
InChIInChI=1S/C7H12N2.BrH/c1-2-7(8)9-5-3-4-6-9;/h3,5,8H,2,4,6H2,1H3;1H/b8-7+;
InChIKeyPHPYXLRVPVYLIV-USRGLUTNSA-N
XLogP2.17
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.10
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydropyrrol-1-yl)propan-1-imine;hydrobromide?
The IUPAC name of 1-(2,3-dihydropyrrol-1-yl)propan-1-imine;hydrobromide (CID 173280217) is 1-(2,3-dihydropyrrol-1-yl)propan-1-imine;hydrobromide.
What is the SMILES notation for 1-(2,3-dihydropyrrol-1-yl)propan-1-imine;hydrobromide?
The canonical SMILES for 1-(2,3-dihydropyrrol-1-yl)propan-1-imine;hydrobromide is Br.[H]/N=C(\CC)N1C=CCC1.
What is the InChIKey of 1-(2,3-dihydropyrrol-1-yl)propan-1-imine;hydrobromide?
The InChIKey is PHPYXLRVPVYLIV-USRGLUTNSA-N. The full InChI is InChI=1S/C7H12N2.BrH/c1-2-7(8)9-5-3-4-6-9;/h3,5,8H,2,4,6H2,1H3;1H/b8-7+;.
What are the key properties of 1-(2,3-dihydropyrrol-1-yl)propan-1-imine;hydrobromide?
1-(2,3-dihydropyrrol-1-yl)propan-1-imine;hydrobromide has a molecular weight of 205.10 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydropyrrol-1-yl)propan-1-imine;hydrobromide is sourced from PubChem (CID 173280217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).