N-(3-hydroxypropyl)-4-methylpyrrolidine-3-carboxamide

C9H18N2O2 — CID 63715754

IUPACN-(3-hydroxypropyl)-4-methylpyrrolidine-3-carboxamide
SMILESCC1CNCC1C(=O)NCCCO
InChIInChI=1S/C9H18N2O2/c1-7-5-10-6-8(7)9(13)11-3-2-4-12/h7-8,10,12H,2-6H2,1H3,(H,11,13)
InChIKeyHLBDPFQEVBXYTE-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.66
Rot. Bonds4

About N-(3-hydroxypropyl)-4-methylpyrrolidine-3-carboxamide

N-(3-hydroxypropyl)-4-methylpyrrolidine-3-carboxamide (PubChem CID 63715754) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-4-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-4-methylpyrrolidine-3-carboxamide
PubChem CID63715754
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC NameN-(3-hydroxypropyl)-4-methylpyrrolidine-3-carboxamide
SMILESCC1CNCC1C(=O)NCCCO
InChIInChI=1S/C9H18N2O2/c1-7-5-10-6-8(7)9(13)11-3-2-4-12/h7-8,10,12H,2-6H2,1H3,(H,11,13)
InChIKeyHLBDPFQEVBXYTE-UHFFFAOYSA-N
XLogP-0.66
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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)-4-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-(3-hydroxypropyl)-4-methylpyrrolidine-3-carboxamide (CID 63715754) is N-(3-hydroxypropyl)-4-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-hydroxypropyl)-4-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-hydroxypropyl)-4-methylpyrrolidine-3-carboxamide is CC1CNCC1C(=O)NCCCO.
What is the InChIKey of N-(3-hydroxypropyl)-4-methylpyrrolidine-3-carboxamide?
The InChIKey is HLBDPFQEVBXYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-7-5-10-6-8(7)9(13)11-3-2-4-12/h7-8,10,12H,2-6H2,1H3,(H,11,13).
What are the key properties of N-(3-hydroxypropyl)-4-methylpyrrolidine-3-carboxamide?
N-(3-hydroxypropyl)-4-methylpyrrolidine-3-carboxamide has a molecular weight of 186.25 g/mol, XLogP of -0.66, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-4-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63715754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).