1-(2,5-dihydro-1H-pyrrol-2-yl)cyclopropan-1-ol;hydrochloride

C7H12ClNO — CID 175496185

IUPAC1-(2,5-dihydro-1H-pyrrol-2-yl)cyclopropan-1-ol;hydrochloride
SMILESCl.OC1(C2C=CCN2)CC1
InChIInChI=1S/C7H11NO.ClH/c9-7(3-4-7)6-2-1-5-8-6;/h1-2,6,8-9H,3-5H2;1H
InChIKeyJPDRWHAIKKKXCU-UHFFFAOYSA-N
MW161.63 g/mol
LogP0.46
Rot. Bonds1

About 1-(2,5-dihydro-1H-pyrrol-2-yl)cyclopropan-1-ol;hydrochloride

1-(2,5-dihydro-1H-pyrrol-2-yl)cyclopropan-1-ol;hydrochloride (PubChem CID 175496185) has the molecular formula C7H12ClNO and a molecular weight of 161.63 g/mol. Its IUPAC name is 1-(2,5-dihydro-1H-pyrrol-2-yl)cyclopropan-1-ol;hydrochloride.

Molecular Properties

Compound Name1-(2,5-dihydro-1H-pyrrol-2-yl)cyclopropan-1-ol;hydrochloride
PubChem CID175496185
Molecular FormulaC7H12ClNO
Molecular Weight161.63 g/mol
Exact Mass161.06
IUPAC Name1-(2,5-dihydro-1H-pyrrol-2-yl)cyclopropan-1-ol;hydrochloride
SMILESCl.OC1(C2C=CCN2)CC1
InChIInChI=1S/C7H11NO.ClH/c9-7(3-4-7)6-2-1-5-8-6;/h1-2,6,8-9H,3-5H2;1H
InChIKeyJPDRWHAIKKKXCU-UHFFFAOYSA-N
XLogP0.46
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.63
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dihydro-1H-pyrrol-2-yl)cyclopropan-1-ol;hydrochloride?
The IUPAC name of 1-(2,5-dihydro-1H-pyrrol-2-yl)cyclopropan-1-ol;hydrochloride (CID 175496185) is 1-(2,5-dihydro-1H-pyrrol-2-yl)cyclopropan-1-ol;hydrochloride.
What is the SMILES notation for 1-(2,5-dihydro-1H-pyrrol-2-yl)cyclopropan-1-ol;hydrochloride?
The canonical SMILES for 1-(2,5-dihydro-1H-pyrrol-2-yl)cyclopropan-1-ol;hydrochloride is Cl.OC1(C2C=CCN2)CC1.
What is the InChIKey of 1-(2,5-dihydro-1H-pyrrol-2-yl)cyclopropan-1-ol;hydrochloride?
The InChIKey is JPDRWHAIKKKXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO.ClH/c9-7(3-4-7)6-2-1-5-8-6;/h1-2,6,8-9H,3-5H2;1H.
What are the key properties of 1-(2,5-dihydro-1H-pyrrol-2-yl)cyclopropan-1-ol;hydrochloride?
1-(2,5-dihydro-1H-pyrrol-2-yl)cyclopropan-1-ol;hydrochloride has a molecular weight of 161.63 g/mol, XLogP of 0.46, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dihydro-1H-pyrrol-2-yl)cyclopropan-1-ol;hydrochloride is sourced from PubChem (CID 175496185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).