4-chloro-2-propan-2-ylpyrrolidine

C7H14ClN — CID 57194376

IUPAC4-chloro-2-propan-2-ylpyrrolidine
SMILESCC(C)C1CC(Cl)CN1
InChIInChI=1S/C7H14ClN/c1-5(2)7-3-6(8)4-9-7/h5-7,9H,3-4H2,1-2H3
InChIKeyWEDFNPNYXWDEDR-UHFFFAOYSA-N
MW147.65 g/mol
LogP1.61
Rot. Bonds1

About 4-chloro-2-propan-2-ylpyrrolidine

4-chloro-2-propan-2-ylpyrrolidine (PubChem CID 57194376) has the molecular formula C7H14ClN and a molecular weight of 147.65 g/mol. Its IUPAC name is 4-chloro-2-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name4-chloro-2-propan-2-ylpyrrolidine
PubChem CID57194376
Molecular FormulaC7H14ClN
Molecular Weight147.65 g/mol
Exact Mass147.08
IUPAC Name4-chloro-2-propan-2-ylpyrrolidine
SMILESCC(C)C1CC(Cl)CN1
InChIInChI=1S/C7H14ClN/c1-5(2)7-3-6(8)4-9-7/h5-7,9H,3-4H2,1-2H3
InChIKeyWEDFNPNYXWDEDR-UHFFFAOYSA-N
XLogP1.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.65
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4,5-dimethyl-2-propan-2-ylpiperidine
CID 59968909
(2S,4S)-4-fluoro-2-propan-2-ylpyrrolidine
CID 59459275
(3R,5S)-5-propan-2-ylpyrrolidine-3-carboxylic acid
CID 96735721
(2R,4S)-2-propan-2-yl-4-(trifluoromethyl)pyrrolidine
CID 96744744
(3S,4aS,8aS)-3-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline
CID 59913049
2-propan-2-yl-4-propan-2-yloxypyrrolidine
CID 102568611
(2R,4S)-4-(2-methoxyethoxy)-2-propan-2-ylpyrrolidine
CID 99994884
(2R,4S)-4-(3-methylbutoxy)-2-propan-2-ylpyrrolidine
CID 99994737
(2S,5R)-5-methyl-2-propan-2-ylpiperidine;hydrochloride
CID 170903987
(2S,4S)-4-butoxy-2-propan-2-ylpyrrolidine
CID 99994491
2,5-dichloro-4-propan-2-ylpiperidine
CID 130205385
4-fluoro-2-propan-2-ylpiperidine
CID 84762912

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-propan-2-ylpyrrolidine?
The IUPAC name of 4-chloro-2-propan-2-ylpyrrolidine (CID 57194376) is 4-chloro-2-propan-2-ylpyrrolidine.
What is the SMILES notation for 4-chloro-2-propan-2-ylpyrrolidine?
The canonical SMILES for 4-chloro-2-propan-2-ylpyrrolidine is CC(C)C1CC(Cl)CN1.
What is the InChIKey of 4-chloro-2-propan-2-ylpyrrolidine?
The InChIKey is WEDFNPNYXWDEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClN/c1-5(2)7-3-6(8)4-9-7/h5-7,9H,3-4H2,1-2H3.
What are the key properties of 4-chloro-2-propan-2-ylpyrrolidine?
4-chloro-2-propan-2-ylpyrrolidine has a molecular weight of 147.65 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-propan-2-ylpyrrolidine is sourced from PubChem (CID 57194376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).