(2S)-2-prop-2-enylpyrrolidine;hydrochloride

C7H14ClN — CID 130367805

IUPAC(2S)-2-prop-2-enylpyrrolidine;hydrochloride
SMILESC=CC[C@@H]1CCCN1.Cl
InChIInChI=1S/C7H13N.ClH/c1-2-4-7-5-3-6-8-7;/h2,7-8H,1,3-6H2;1H/t7-;/m1./s1
InChIKeyNKBQANIGCPEPGT-OGFXRTJISA-N
MW147.65 g/mol
LogP1.74
Rot. Bonds2

About (2S)-2-prop-2-enylpyrrolidine;hydrochloride

(2S)-2-prop-2-enylpyrrolidine;hydrochloride (PubChem CID 130367805) has the molecular formula C7H14ClN and a molecular weight of 147.65 g/mol. Its IUPAC name is (2S)-2-prop-2-enylpyrrolidine;hydrochloride.

Molecular Properties

Compound Name(2S)-2-prop-2-enylpyrrolidine;hydrochloride
PubChem CID130367805
Molecular FormulaC7H14ClN
Molecular Weight147.65 g/mol
Exact Mass147.08
IUPAC Name(2S)-2-prop-2-enylpyrrolidine;hydrochloride
SMILESC=CC[C@@H]1CCCN1.Cl
InChIInChI=1S/C7H13N.ClH/c1-2-4-7-5-3-6-8-7;/h2,7-8H,1,3-6H2;1H/t7-;/m1./s1
InChIKeyNKBQANIGCPEPGT-OGFXRTJISA-N
XLogP1.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.65
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(5-Hexenyl)-5-(8-nonenyl)pyrrolidine
CID 180889
2-(3-Buten-1-yl)pyrrolidine
CID 13350948
7-Azanorbornene
CID 143286
Pyrrolidine, 2-(2-propenyl)-
CID 11137313
2-Ethenylpyrrolidine hydrochloride
CID 23128270
8-Azabicyclo(3.2.1)oct-2-ene hydrochloride
CID 71757059
trans-2-(1-Hex-5-enyl)-5-(1-non-8-enyl) pyrrolidine
CID 129775854
2-Ethenyl-pyrrolidine
CID 18521191
2-Butyl-5-pent-4-enylpyrrolidine
CID 14488217
trans-2,5-Diallylpyrrolidine
CID 14944177
(S)-2-Allylpyrrolidine
CID 13283820
cis-2,5-Diallylpyrrolidine
CID 14944176

Frequently Asked Questions

What is the IUPAC name of (2S)-2-prop-2-enylpyrrolidine;hydrochloride?
The IUPAC name of (2S)-2-prop-2-enylpyrrolidine;hydrochloride (CID 130367805) is (2S)-2-prop-2-enylpyrrolidine;hydrochloride.
What is the SMILES notation for (2S)-2-prop-2-enylpyrrolidine;hydrochloride?
The canonical SMILES for (2S)-2-prop-2-enylpyrrolidine;hydrochloride is C=CC[C@@H]1CCCN1.Cl.
What is the InChIKey of (2S)-2-prop-2-enylpyrrolidine;hydrochloride?
The InChIKey is NKBQANIGCPEPGT-OGFXRTJISA-N. The full InChI is InChI=1S/C7H13N.ClH/c1-2-4-7-5-3-6-8-7;/h2,7-8H,1,3-6H2;1H/t7-;/m1./s1.
What are the key properties of (2S)-2-prop-2-enylpyrrolidine;hydrochloride?
(2S)-2-prop-2-enylpyrrolidine;hydrochloride has a molecular weight of 147.65 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-prop-2-enylpyrrolidine;hydrochloride is sourced from PubChem (CID 130367805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).