N-(3-hydroxypropyl)pyrrolidine-1-carboxamide

C8H16N2O2 — CID 112725646

IUPACN-(3-hydroxypropyl)pyrrolidine-1-carboxamide
SMILESO=C(NCCCO)N1CCCC1
InChIInChI=1S/C8H16N2O2/c11-7-3-4-9-8(12)10-5-1-2-6-10/h11H,1-7H2,(H,9,12)
InChIKeySNXDXSGZOJSOAB-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.17
Rot. Bonds3

About N-(3-hydroxypropyl)pyrrolidine-1-carboxamide

N-(3-hydroxypropyl)pyrrolidine-1-carboxamide (PubChem CID 112725646) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is N-(3-hydroxypropyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)pyrrolidine-1-carboxamide
PubChem CID112725646
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC NameN-(3-hydroxypropyl)pyrrolidine-1-carboxamide
SMILESO=C(NCCCO)N1CCCC1
InChIInChI=1S/C8H16N2O2/c11-7-3-4-9-8(12)10-5-1-2-6-10/h11H,1-7H2,(H,9,12)
InChIKeySNXDXSGZOJSOAB-UHFFFAOYSA-N
XLogP0.17
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(3-hydroxypropyl)pyrrolidine-1-carboxamide (CID 112725646) is N-(3-hydroxypropyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(3-hydroxypropyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(3-hydroxypropyl)pyrrolidine-1-carboxamide is O=C(NCCCO)N1CCCC1.
What is the InChIKey of N-(3-hydroxypropyl)pyrrolidine-1-carboxamide?
The InChIKey is SNXDXSGZOJSOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c11-7-3-4-9-8(12)10-5-1-2-6-10/h11H,1-7H2,(H,9,12).
What are the key properties of N-(3-hydroxypropyl)pyrrolidine-1-carboxamide?
N-(3-hydroxypropyl)pyrrolidine-1-carboxamide has a molecular weight of 172.23 g/mol, XLogP of 0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 112725646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).