1-(2-chloroprop-2-enyl)-2-methylpyrrolidine;hydrochloride

C8H15Cl2N — CID 130639648

IUPAC1-(2-chloroprop-2-enyl)-2-methylpyrrolidine;hydrochloride
SMILESC=C(Cl)CN1CCCC1C.Cl
InChIInChI=1S/C8H14ClN.ClH/c1-7(9)6-10-5-3-4-8(10)2;/h8H,1,3-6H2,2H3;1H
InChIKeyPGCXFHJRAXBXNB-UHFFFAOYSA-N
MW196.12 g/mol
LogP2.64
Rot. Bonds2

About 1-(2-chloroprop-2-enyl)-2-methylpyrrolidine;hydrochloride

1-(2-chloroprop-2-enyl)-2-methylpyrrolidine;hydrochloride (PubChem CID 130639648) has the molecular formula C8H15Cl2N and a molecular weight of 196.12 g/mol. Its IUPAC name is 1-(2-chloroprop-2-enyl)-2-methylpyrrolidine;hydrochloride.

Molecular Properties

Compound Name1-(2-chloroprop-2-enyl)-2-methylpyrrolidine;hydrochloride
PubChem CID130639648
Molecular FormulaC8H15Cl2N
Molecular Weight196.12 g/mol
Exact Mass195.06
IUPAC Name1-(2-chloroprop-2-enyl)-2-methylpyrrolidine;hydrochloride
SMILESC=C(Cl)CN1CCCC1C.Cl
InChIInChI=1S/C8H14ClN.ClH/c1-7(9)6-10-5-3-4-8(10)2;/h8H,1,3-6H2,2H3;1H
InChIKeyPGCXFHJRAXBXNB-UHFFFAOYSA-N
XLogP2.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.12
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

trifluoro-[3-(2-methylpyrrolidin-1-yl)prop-1-en-2-yl]boranuide
CID 106745541
2-[(2R)-2-methylpyrrolidin-1-yl]acetamide
CID 167235673
1-(2-chloroprop-2-enyl)pyrrolidine-2-carboxylic acid
CID 13396240
[1-[[1-(2-chloroprop-2-enyl)pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol
CID 111781116
N,N-dimethyl-2-(2-methylpyrrolidin-1-yl)acetamide
CID 130669974
1-(2-chloroprop-2-enyl)-4-methylazepane
CID 130709084
2-[1-(2-chloroprop-2-enyl)pyrrolidin-2-yl]cyclopentan-1-ol
CID 114339388
ethane;1-ethyl-2-methylpyrrolidine;methanol
CID 144741574
(2S)-2-methyl-1-prop-2-enylpyrrolidine
CID 124507016
(2-methylpiperidin-1-yl)methanol
CID 67262865
2-[4-(2-chloroprop-2-enyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 134001219
1-(2-chloroprop-2-enyl)-2-(3,4-dimethoxyphenyl)pyrrolidine
CID 134001152

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroprop-2-enyl)-2-methylpyrrolidine;hydrochloride?
The IUPAC name of 1-(2-chloroprop-2-enyl)-2-methylpyrrolidine;hydrochloride (CID 130639648) is 1-(2-chloroprop-2-enyl)-2-methylpyrrolidine;hydrochloride.
What is the SMILES notation for 1-(2-chloroprop-2-enyl)-2-methylpyrrolidine;hydrochloride?
The canonical SMILES for 1-(2-chloroprop-2-enyl)-2-methylpyrrolidine;hydrochloride is C=C(Cl)CN1CCCC1C.Cl.
What is the InChIKey of 1-(2-chloroprop-2-enyl)-2-methylpyrrolidine;hydrochloride?
The InChIKey is PGCXFHJRAXBXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClN.ClH/c1-7(9)6-10-5-3-4-8(10)2;/h8H,1,3-6H2,2H3;1H.
What are the key properties of 1-(2-chloroprop-2-enyl)-2-methylpyrrolidine;hydrochloride?
1-(2-chloroprop-2-enyl)-2-methylpyrrolidine;hydrochloride has a molecular weight of 196.12 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroprop-2-enyl)-2-methylpyrrolidine;hydrochloride is sourced from PubChem (CID 130639648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).