1-(3-chloroprop-1-en-2-yl)-3-propan-2-ylpyrrolidine

C10H18ClN — CID 169182489

IUPAC1-(3-chloroprop-1-en-2-yl)-3-propan-2-ylpyrrolidine
SMILESC=C(CCl)N1CCC(C(C)C)C1
InChIInChI=1S/C10H18ClN/c1-8(2)10-4-5-12(7-10)9(3)6-11/h8,10H,3-7H2,1-2H3
InChIKeyHRWMDHRTTZWFLB-UHFFFAOYSA-N
MW187.71 g/mol
LogP2.72
Rot. Bonds3

About 1-(3-chloroprop-1-en-2-yl)-3-propan-2-ylpyrrolidine

1-(3-chloroprop-1-en-2-yl)-3-propan-2-ylpyrrolidine (PubChem CID 169182489) has the molecular formula C10H18ClN and a molecular weight of 187.71 g/mol. Its IUPAC name is 1-(3-chloroprop-1-en-2-yl)-3-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name1-(3-chloroprop-1-en-2-yl)-3-propan-2-ylpyrrolidine
PubChem CID169182489
Molecular FormulaC10H18ClN
Molecular Weight187.71 g/mol
Exact Mass187.11
IUPAC Name1-(3-chloroprop-1-en-2-yl)-3-propan-2-ylpyrrolidine
SMILESC=C(CCl)N1CCC(C(C)C)C1
InChIInChI=1S/C10H18ClN/c1-8(2)10-4-5-12(7-10)9(3)6-11/h8,10H,3-7H2,1-2H3
InChIKeyHRWMDHRTTZWFLB-UHFFFAOYSA-N
XLogP2.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.71
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(3R)-3-propan-2-ylpyrrolidin-1-yl]ethanone
CID 90251705
1-(4-methylhex-1-en-2-yl)-4-propan-2-ylpiperidine
CID 129293801
2-methyl-1-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one
CID 90077533
N-(2-chloroacetyl)-4-propan-2-ylpiperidine-1-carboxamide
CID 103500767
1-(3-methylbut-1-en-2-yl)-3-propan-2-ylpiperidine
CID 159243068
2-amino-1-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one
CID 115734771
(1-propan-2-ylpiperidin-4-yl)-[(3S)-3-propan-2-ylpyrrolidin-1-yl]methanone
CID 168752483
(1-propan-2-ylpiperidin-4-yl)-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 168752402
2-methyl-1-(4-propan-2-ylpiperidin-1-yl)prop-2-en-1-one
CID 91076591
(2S,3S)-2-amino-3-methyl-1-(3-propan-2-ylpyrrolidin-1-yl)pentan-1-one
CID 103833315
2,2-dimethyl-3-oxo-3-(3-propan-2-ylpyrrolidin-1-yl)propanenitrile
CID 112697882
1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 12791779

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloroprop-1-en-2-yl)-3-propan-2-ylpyrrolidine?
The IUPAC name of 1-(3-chloroprop-1-en-2-yl)-3-propan-2-ylpyrrolidine (CID 169182489) is 1-(3-chloroprop-1-en-2-yl)-3-propan-2-ylpyrrolidine.
What is the SMILES notation for 1-(3-chloroprop-1-en-2-yl)-3-propan-2-ylpyrrolidine?
The canonical SMILES for 1-(3-chloroprop-1-en-2-yl)-3-propan-2-ylpyrrolidine is C=C(CCl)N1CCC(C(C)C)C1.
What is the InChIKey of 1-(3-chloroprop-1-en-2-yl)-3-propan-2-ylpyrrolidine?
The InChIKey is HRWMDHRTTZWFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN/c1-8(2)10-4-5-12(7-10)9(3)6-11/h8,10H,3-7H2,1-2H3.
What are the key properties of 1-(3-chloroprop-1-en-2-yl)-3-propan-2-ylpyrrolidine?
1-(3-chloroprop-1-en-2-yl)-3-propan-2-ylpyrrolidine has a molecular weight of 187.71 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloroprop-1-en-2-yl)-3-propan-2-ylpyrrolidine is sourced from PubChem (CID 169182489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).