5-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)pentanamide

C12H23ClN2O — CID 61473760

IUPAC5-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)pentanamide
SMILESCC(CN1CCCC1)NC(=O)CCCCCl
InChIInChI=1S/C12H23ClN2O/c1-11(10-15-8-4-5-9-15)14-12(16)6-2-3-7-13/h11H,2-10H2,1H3,(H,14,16)
InChIKeyVNJVRFYSOBZUFS-UHFFFAOYSA-N
MW246.78 g/mol
LogP2.00
Rot. Bonds7

About 5-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)pentanamide

5-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)pentanamide (PubChem CID 61473760) has the molecular formula C12H23ClN2O and a molecular weight of 246.78 g/mol. Its IUPAC name is 5-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)pentanamide.

Molecular Properties

Compound Name5-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)pentanamide
PubChem CID61473760
Molecular FormulaC12H23ClN2O
Molecular Weight246.78 g/mol
Exact Mass246.15
IUPAC Name5-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)pentanamide
SMILESCC(CN1CCCC1)NC(=O)CCCCCl
InChIInChI=1S/C12H23ClN2O/c1-11(10-15-8-4-5-9-15)14-12(16)6-2-3-7-13/h11H,2-10H2,1H3,(H,14,16)
InChIKeyVNJVRFYSOBZUFS-UHFFFAOYSA-N
XLogP2.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.78
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(1-piperidin-1-ylpropan-2-yl)butanamide
CID 63307575
4-hydroxy-N-(1-pyrrolidin-1-ylpropan-2-yl)pentanamide
CID 79192946
5-chloro-N-(4-hydroxybutan-2-yl)pentanamide
CID 83177024
5-chloro-N-(1-hydroxypropan-2-yl)pentanamide
CID 61251203
5-(4-bromophenyl)-N-(1-piperidin-1-ylpropan-2-yl)pentanamide
CID 60508198
N-(1-pyrrolidin-1-ylpropan-2-yl)acetamide
CID 61217024
2-(methylamino)-N-(1-piperidin-1-ylpropan-2-yl)acetamide
CID 43695360
4-hydroxy-N-(1-morpholin-4-ylpropan-2-yl)butanamide
CID 79201322
N-(1-pyrrolidin-1-ylpropan-2-yl)prop-2-enamide
CID 61473845
5-chloro-N-heptan-2-ylpentanamide
CID 43578895
2-[2-oxo-2-(1-pyrrolidin-1-ylpropan-2-ylamino)ethyl]sulfanylacetic acid
CID 104569748
3-amino-N-(1-piperidin-1-ylpropan-2-yl)butanamide;dihydrochloride
CID 119851496

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)pentanamide?
The IUPAC name of 5-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)pentanamide (CID 61473760) is 5-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)pentanamide.
What is the SMILES notation for 5-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)pentanamide?
The canonical SMILES for 5-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)pentanamide is CC(CN1CCCC1)NC(=O)CCCCCl.
What is the InChIKey of 5-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)pentanamide?
The InChIKey is VNJVRFYSOBZUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23ClN2O/c1-11(10-15-8-4-5-9-15)14-12(16)6-2-3-7-13/h11H,2-10H2,1H3,(H,14,16).
What are the key properties of 5-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)pentanamide?
5-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)pentanamide has a molecular weight of 246.78 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)pentanamide is sourced from PubChem (CID 61473760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).