1-(3-aminopropyl)-2,3-dihydropyrrol-4-ol

C7H14N2O — CID 150422468

IUPAC1-(3-aminopropyl)-2,3-dihydropyrrol-4-ol
SMILESNCCCN1C=C(O)CC1
InChIInChI=1S/C7H14N2O/c8-3-1-4-9-5-2-7(10)6-9/h6,10H,1-5,8H2
InChIKeyJKVKEZYZSXDKCU-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.44
Rot. Bonds3

About 1-(3-aminopropyl)-2,3-dihydropyrrol-4-ol

1-(3-aminopropyl)-2,3-dihydropyrrol-4-ol (PubChem CID 150422468) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 1-(3-aminopropyl)-2,3-dihydropyrrol-4-ol.

Molecular Properties

Compound Name1-(3-aminopropyl)-2,3-dihydropyrrol-4-ol
PubChem CID150422468
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name1-(3-aminopropyl)-2,3-dihydropyrrol-4-ol
SMILESNCCCN1C=C(O)CC1
InChIInChI=1S/C7H14N2O/c8-3-1-4-9-5-2-7(10)6-9/h6,10H,1-5,8H2
InChIKeyJKVKEZYZSXDKCU-UHFFFAOYSA-N
XLogP0.44
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-2,3-dihydropyrrol-4-ol?
The IUPAC name of 1-(3-aminopropyl)-2,3-dihydropyrrol-4-ol (CID 150422468) is 1-(3-aminopropyl)-2,3-dihydropyrrol-4-ol.
What is the SMILES notation for 1-(3-aminopropyl)-2,3-dihydropyrrol-4-ol?
The canonical SMILES for 1-(3-aminopropyl)-2,3-dihydropyrrol-4-ol is NCCCN1C=C(O)CC1.
What is the InChIKey of 1-(3-aminopropyl)-2,3-dihydropyrrol-4-ol?
The InChIKey is JKVKEZYZSXDKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c8-3-1-4-9-5-2-7(10)6-9/h6,10H,1-5,8H2.
What are the key properties of 1-(3-aminopropyl)-2,3-dihydropyrrol-4-ol?
1-(3-aminopropyl)-2,3-dihydropyrrol-4-ol has a molecular weight of 142.20 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-2,3-dihydropyrrol-4-ol is sourced from PubChem (CID 150422468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).